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2236 hits found in 0.65 seconds.
Search terms: C13H18O3

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.52
XLogP:	4.00
ALOGPS:	4.62

4.52

4.46

InChI=1/C13H18O3/c1-2-8-13(11-6-4-3-5-7-11)15-10-12(9-14)16-13/h3-7,12,14H,2,8-10H2,1H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.04
XLogP:	1.90
ALOGPS:	1.98

3.04

3.04

InChI=1/C13H18O3/c1-3-4-7-16-12-6-5-11(8-10(12)2)9-13(14)15/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.47
XLogP:	2.90
ALOGPS:	3.25

2.4

0.59

InChI=1/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.89
XLogP:	5.00
ALOGPS:	4.56

4.89

4.82

InChI=1/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.10
XLogP:	3.60
ALOGPS:	3.34

3.08

1.4

InChI=1/C13H18O3/c1-9(2)8-10(3)16-13(15)11-6-4-5-7-12(11)14/h4-7,9-10,14H,8H2,1-3H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.52
XLogP:	4.90
ALOGPS:	3.41

4.52

4.44

InChI=1/C13H18O3/c1-7(2)9(4)10-6-5-8(3)11(12(10)14)13(15)16/h5-7,9,14H,1-4H3,(H,15,16)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.74
XLogP:	5.10
ALOGPS:	3.36

1.63

1.59

InChI=1/C13H18O3/c1-5-13(3,4)9-7-6-8(2)10(11(9)14)12(15)16/h6-7,14H,5H2,1-4H3,(H,15,16)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.74
XLogP:	5.00
ALOGPS:	3.83

1.63

1.59

InChI=1/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.74
XLogP:	5.00
ALOGPS:	3.49

1.8

1.59

InChI=1/C13H18O3/c1-13(2,3)12(14)9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.05
XLogP:	2.20
ALOGPS:	3.07

3.05

3.05

InChI=1/C13H18O3/c1-2-3-4-5-6-10-7-11(9-14)13(16)8-12(10)15/h7-9,15-16H,2-6H2,1H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.49
ALOGPS:	3.45

4.49

4.38

InChI=1/C13H18O3/c1-3-4-5-16-12-7-10(2)6-11(8-12)9-13(14)15/h6-8H,3-5,9H2,1-2H3,(H,14,15)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.47
XLogP:	3.20
ALOGPS:	3.22

2.15

0.38

InChI=1/C13H18O3/c1-9(2)8-16-12-5-10(3)4-11(6-12)7-13(14)15/h4-6,9H,7-8H2,1-3H3,(H,14,15)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.29
XLogP:	2.90
ALOGPS:	3.08

1.96

0.19

InChI=1/C13H18O3/c1-10(14)15-9-16-12-7-5-11(6-8-12)13(2,3)4/h5-8H,9H2,1-4H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.48
XLogP:	3.90
ALOGPS:	3.94

3.48

3.48

InChI=1/C13H18O3/c1-5-9(2)13(14)10-6-7-11(15-3)12(8-10)16-4/h6-9H,5H2,1-4H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.23
XLogP:	2.50
ALOGPS:	3.01

3.23

3.23

InChI=1/C13H18O3/c1-4-10(8(2)3)13(16)9-5-6-11(14)12(15)7-9/h5-8,10,14-15H,4H2,1-3H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.57
ALOGPS:	3.10

3.57

3.45

InChI=1/C13H18O3/c1-3-5-9-7-11(13(15)16)8-10(6-4-2)12(9)14/h7-8,14H,3-6H2,1-2H3,(H,15,16)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.47
XLogP:	3.70
ALOGPS:	3.35

3.48

1.8

InChI=1/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	4.62
XLogP:	4.00
ALOGPS:	3.96

3.57

1.9

InChI=1/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	3.37
XLogP:	3.10

3.37

3.37

InChI=1/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3

C₁₃H₁₈O₃

222.2802

222.125594

ACD/LogP:	2.47
XLogP:	2.20

2.47

2.47

1

Royal Society of Chemistry