3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid

C16H22O3 — CID 82045590

IUPAC3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)C2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-19-14-9-7-13(8-10-14)15(11-16(17)18)12-5-3-2-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,17,18)
InChIKeyPMVFUXHFPIBVTI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.83
Rot. Bonds5

About 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid

3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid (PubChem CID 82045590) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
PubChem CID82045590
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)C2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-19-14-9-7-13(8-10-14)15(11-16(17)18)12-5-3-2-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,17,18)
InChIKeyPMVFUXHFPIBVTI-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid
CID 23324923
3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117107780
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid (CID 82045590) is 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CC(=O)O)C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is PMVFUXHFPIBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-19-14-9-7-13(8-10-14)15(11-16(17)18)12-5-3-2-4-6-12/h7-10,12,15H,2-6,11H2,1H3,(H,17,18).
What are the key properties of 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid?
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82045590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).