2-cyclohexyloxy-4-methoxybenzoic acid

C14H18O4 — CID 61269041

IUPAC2-cyclohexyloxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC2CCCCC2)c1
InChIInChI=1S/C14H18O4/c1-17-11-7-8-12(14(15)16)13(9-11)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeySOLZTTOFXHFKGA-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.10
Rot. Bonds4

About 2-cyclohexyloxy-4-methoxybenzoic acid

2-cyclohexyloxy-4-methoxybenzoic acid (PubChem CID 61269041) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-cyclohexyloxy-4-methoxybenzoic acid
PubChem CID61269041
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-cyclohexyloxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC2CCCCC2)c1
InChIInChI=1S/C14H18O4/c1-17-11-7-8-12(14(15)16)13(9-11)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeySOLZTTOFXHFKGA-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 154757977
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-methoxybenzoic acid?
The IUPAC name of 2-cyclohexyloxy-4-methoxybenzoic acid (CID 61269041) is 2-cyclohexyloxy-4-methoxybenzoic acid.
What is the SMILES notation for 2-cyclohexyloxy-4-methoxybenzoic acid?
The canonical SMILES for 2-cyclohexyloxy-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyloxy-4-methoxybenzoic acid?
The InChIKey is SOLZTTOFXHFKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-11-7-8-12(14(15)16)13(9-11)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclohexyloxy-4-methoxybenzoic acid?
2-cyclohexyloxy-4-methoxybenzoic acid has a molecular weight of 250.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-methoxybenzoic acid is sourced from PubChem (CID 61269041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).