4-[(3-methylcyclohexyl)methoxy]benzoic acid

C15H20O3 — CID 114197046

IUPAC4-[(3-methylcyclohexyl)methoxy]benzoic acid
SMILESCC1CCCC(COc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H20O3/c1-11-3-2-4-12(9-11)10-18-14-7-5-13(6-8-14)15(16)17/h5-8,11-12H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyAWFQWCOGEOVJKX-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.59
Rot. Bonds4

About 4-[(3-methylcyclohexyl)methoxy]benzoic acid

4-[(3-methylcyclohexyl)methoxy]benzoic acid (PubChem CID 114197046) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[(3-methylcyclohexyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(3-methylcyclohexyl)methoxy]benzoic acid
PubChem CID114197046
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-[(3-methylcyclohexyl)methoxy]benzoic acid
SMILESCC1CCCC(COc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H20O3/c1-11-3-2-4-12(9-11)10-18-14-7-5-13(6-8-14)15(16)17/h5-8,11-12H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyAWFQWCOGEOVJKX-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
4-[2-[(3-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103237686
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
cyclobutane;3-(cyclohexylmethoxy)benzoic acid;bis(4-cyclopentyloxybenzoic acid)
CID 174840295
3-amino-2-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197231
4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoic acid
CID 67076318
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
cis-(1S,3R)-3-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 59134584
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclohexyl)methoxy]benzoic acid?
The IUPAC name of 4-[(3-methylcyclohexyl)methoxy]benzoic acid (CID 114197046) is 4-[(3-methylcyclohexyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(3-methylcyclohexyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(3-methylcyclohexyl)methoxy]benzoic acid is CC1CCCC(COc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[(3-methylcyclohexyl)methoxy]benzoic acid?
The InChIKey is AWFQWCOGEOVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-3-2-4-12(9-11)10-18-14-7-5-13(6-8-14)15(16)17/h5-8,11-12H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 4-[(3-methylcyclohexyl)methoxy]benzoic acid?
4-[(3-methylcyclohexyl)methoxy]benzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclohexyl)methoxy]benzoic acid is sourced from PubChem (CID 114197046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).