4-(4-ethylphenyl)benzoic acid

C15H14O2 — CID 521801

IUPAC4-(4-ethylphenyl)benzoic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H14O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)
InChIKeySCEBDBNGUCNRCE-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-ethylphenyl)benzoic acid

4-(4-ethylphenyl)benzoic acid (PubChem CID 521801) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(4-ethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-ethylphenyl)benzoic acid
PubChem CID521801
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name4-(4-ethylphenyl)benzoic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H14O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)
InChIKeySCEBDBNGUCNRCE-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)benzoic acid?
The IUPAC name of 4-(4-ethylphenyl)benzoic acid (CID 521801) is 4-(4-ethylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-ethylphenyl)benzoic acid?
The canonical SMILES for 4-(4-ethylphenyl)benzoic acid is CCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)benzoic acid?
The InChIKey is SCEBDBNGUCNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 4-(4-ethylphenyl)benzoic acid?
4-(4-ethylphenyl)benzoic acid has a molecular weight of 226.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)benzoic acid is sourced from PubChem (CID 521801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).