4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid

C17H24O3 — CID 139839105

IUPAC4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid
SMILESCC1(c2cc(CCCC(=O)O)ccc2O)CCCCC1
InChIInChI=1S/C17H24O3/c1-17(10-3-2-4-11-17)14-12-13(8-9-15(14)18)6-5-7-16(19)20/h8-9,12,18H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyJBVJPEARXKSSBO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.02
Rot. Bonds5

About 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid

4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid (PubChem CID 139839105) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid
PubChem CID139839105
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid
SMILESCC1(c2cc(CCCC(=O)O)ccc2O)CCCCC1
InChIInChI=1S/C17H24O3/c1-17(10-3-2-4-11-17)14-12-13(8-9-15(14)18)6-5-7-16(19)20/h8-9,12,18H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyJBVJPEARXKSSBO-UHFFFAOYSA-N
XLogP4.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 10017002
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
CID 139839146
(Z)-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octadec-9-enoic acid
CID 176888341
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one
CID 70003247
13-(3-hydroxy-4-methylphenyl)-10-oxotridecanoic acid
CID 158929956
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941
4-[4-(3-hydroxy-3-methylbutyl)phenyl]butanoic acid
CID 117108398
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid (CID 139839105) is 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid is CC1(c2cc(CCCC(=O)O)ccc2O)CCCCC1.
What is the InChIKey of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid?
The InChIKey is JBVJPEARXKSSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(10-3-2-4-11-17)14-12-13(8-9-15(14)18)6-5-7-16(19)20/h8-9,12,18H,2-7,10-11H2,1H3,(H,19,20).
What are the key properties of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid?
4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid has a molecular weight of 276.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]butanoic acid is sourced from PubChem (CID 139839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).