4-cyclohexyl-3,5-dimethoxybenzoic acid

C15H20O4 — CID 170351500

IUPAC4-cyclohexyl-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1C1CCCCC1
InChIInChI=1S/C15H20O4/c1-18-12-8-11(15(16)17)9-13(19-2)14(12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyYHXLOZGUYNPWJR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.45
Rot. Bonds4

About 4-cyclohexyl-3,5-dimethoxybenzoic acid

4-cyclohexyl-3,5-dimethoxybenzoic acid (PubChem CID 170351500) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-cyclohexyl-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-cyclohexyl-3,5-dimethoxybenzoic acid
PubChem CID170351500
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-cyclohexyl-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1C1CCCCC1
InChIInChI=1S/C15H20O4/c1-18-12-8-11(15(16)17)9-13(19-2)14(12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyYHXLOZGUYNPWJR-UHFFFAOYSA-N
XLogP3.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid
CID 117380991
5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
CID 165177469
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid
CID 175964652
3,5-dimethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 101437500
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-cyclohexyl-3,5-dimethoxybenzoic acid (CID 170351500) is 4-cyclohexyl-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-cyclohexyl-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-cyclohexyl-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3,5-dimethoxybenzoic acid?
The InChIKey is YHXLOZGUYNPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-12-8-11(15(16)17)9-13(19-2)14(12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-cyclohexyl-3,5-dimethoxybenzoic acid?
4-cyclohexyl-3,5-dimethoxybenzoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 170351500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).