3-cyclohexyl-4-methoxybenzoic acid

C14H18O3 — CID 21199438

IUPAC3-cyclohexyl-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1C1CCCCC1
InChIInChI=1S/C14H18O3/c1-17-13-8-7-11(14(15)16)9-12(13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyRVVUTEVUYITMNG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.44
Rot. Bonds3

About 3-cyclohexyl-4-methoxybenzoic acid

3-cyclohexyl-4-methoxybenzoic acid (PubChem CID 21199438) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-cyclohexyl-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-cyclohexyl-4-methoxybenzoic acid
PubChem CID21199438
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-cyclohexyl-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1C1CCCCC1
InChIInChI=1S/C14H18O3/c1-17-13-8-7-11(14(15)16)9-12(13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyRVVUTEVUYITMNG-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500
2-cyclopentylterephthalic acid
CID 174865784
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953
3,4-dimethoxybenzoic acid;methanol
CID 144580050

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methoxybenzoic acid?
The IUPAC name of 3-cyclohexyl-4-methoxybenzoic acid (CID 21199438) is 3-cyclohexyl-4-methoxybenzoic acid.
What is the SMILES notation for 3-cyclohexyl-4-methoxybenzoic acid?
The canonical SMILES for 3-cyclohexyl-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-methoxybenzoic acid?
The InChIKey is RVVUTEVUYITMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-13-8-7-11(14(15)16)9-12(13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-cyclohexyl-4-methoxybenzoic acid?
3-cyclohexyl-4-methoxybenzoic acid has a molecular weight of 234.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methoxybenzoic acid is sourced from PubChem (CID 21199438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).