1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid

C14H18O3 — CID 23151680

IUPAC1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H18O3/c1-17-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyKCMRNPRZCCSZOA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid

1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 23151680) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID23151680
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H18O3/c1-17-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyKCMRNPRZCCSZOA-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117457679
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(2-methoxyphenyl)-N,N-dimethylcyclobutane-1-carboxamide
CID 110436778
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 23151680) is 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1ccccc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is KCMRNPRZCCSZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid?
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23151680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).