4-(4-carboxycyclohexanecarbonyl)benzoic acid

C15H16O5 — CID 71338600

IUPAC4-(4-carboxycyclohexanecarbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C15H16O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-2,5-6,10,12H,3-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyCFEIHTXZHMWYKE-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.46
Rot. Bonds4

About 4-(4-carboxycyclohexanecarbonyl)benzoic acid

4-(4-carboxycyclohexanecarbonyl)benzoic acid (PubChem CID 71338600) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(4-carboxycyclohexanecarbonyl)benzoic acid.

Molecular Properties

Compound Name4-(4-carboxycyclohexanecarbonyl)benzoic acid
PubChem CID71338600
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name4-(4-carboxycyclohexanecarbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C15H16O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-2,5-6,10,12H,3-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyCFEIHTXZHMWYKE-UHFFFAOYSA-N
XLogP2.46
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclohexane-1,4-dicarboxylic acid;naphthalene-2,6-dicarboxylic acid;dihydrochloride
CID 70542145
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
4-cyanobenzoic acid;4-cyanocyclohexane-1-carboxylic acid
CID 70485293
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
4-[[4-(4-chlorobenzoyl)cyclohexyl]methyl]benzoic acid
CID 91380775
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
4-(4-carboxycyclohexyl)benzoic acid;4-(4-carboxycyclohexyl)cyclohexane-1-carboxylic acid;4-(4-carboxyphenyl)benzoic acid
CID 160674040
2-[4-(cyclopropanecarbonyl)phenyl]sulfonyl-2-methylpropanoic acid
CID 82165183
terephthalic acid
CID 160582437
3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 57168194
4-cyanobenzoic acid;4-cyanocyclohexane-1-carboxylic acid;ethane-1,1-diol
CID 70485783

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxycyclohexanecarbonyl)benzoic acid?
The IUPAC name of 4-(4-carboxycyclohexanecarbonyl)benzoic acid (CID 71338600) is 4-(4-carboxycyclohexanecarbonyl)benzoic acid.
What is the SMILES notation for 4-(4-carboxycyclohexanecarbonyl)benzoic acid?
The canonical SMILES for 4-(4-carboxycyclohexanecarbonyl)benzoic acid is O=C(O)c1ccc(C(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-carboxycyclohexanecarbonyl)benzoic acid?
The InChIKey is CFEIHTXZHMWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-2,5-6,10,12H,3-4,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(4-carboxycyclohexanecarbonyl)benzoic acid?
4-(4-carboxycyclohexanecarbonyl)benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxycyclohexanecarbonyl)benzoic acid is sourced from PubChem (CID 71338600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).