2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid

C16H22O3 — CID 79418094

IUPAC2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H22O3/c1-19-15-10-6-5-9-13(15)11-14(16(17)18)12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyWKUANCSGUDFOQS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.52
Rot. Bonds5

About 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid

2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid (PubChem CID 79418094) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
PubChem CID79418094
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H22O3/c1-19-15-10-6-5-9-13(15)11-14(16(17)18)12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyWKUANCSGUDFOQS-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
2-[(cyclooctanecarbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533111
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
CID 86899049
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid (CID 79418094) is 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is WKUANCSGUDFOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-19-15-10-6-5-9-13(15)11-14(16(17)18)12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid?
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 79418094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).