4-(4-ethylphenyl)-3-methylbenzoic acid

C16H16O2 — CID 53225239

IUPAC4-(4-ethylphenyl)-3-methylbenzoic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)cc2C)cc1
InChIInChI=1S/C16H16O2/c1-3-12-4-6-13(7-5-12)15-9-8-14(16(17)18)10-11(15)2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyVNJRETMPAGPAEM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.92
Rot. Bonds3

About 4-(4-ethylphenyl)-3-methylbenzoic acid

4-(4-ethylphenyl)-3-methylbenzoic acid (PubChem CID 53225239) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-methylbenzoic acid
PubChem CID53225239
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(4-ethylphenyl)-3-methylbenzoic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)cc2C)cc1
InChIInChI=1S/C16H16O2/c1-3-12-4-6-13(7-5-12)15-9-8-14(16(17)18)10-11(15)2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyVNJRETMPAGPAEM-UHFFFAOYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-[4-(dimethylcarbamoyl)phenyl]-3-methylbenzoic acid
CID 53227797
4-(4-ethylphenyl)-3-methylphenol
CID 83130010
3-[(4-ethylphenyl)methyl]-4-methylbenzoic acid
CID 174439216
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
4-ethylbenzoic acid;formaldehyde
CID 155718391
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-methylbenzoic acid?
The IUPAC name of 4-(4-ethylphenyl)-3-methylbenzoic acid (CID 53225239) is 4-(4-ethylphenyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(4-ethylphenyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(4-ethylphenyl)-3-methylbenzoic acid is CCc1ccc(-c2ccc(C(=O)O)cc2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-methylbenzoic acid?
The InChIKey is VNJRETMPAGPAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-12-4-6-13(7-5-12)15-9-8-14(16(17)18)10-11(15)2/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-ethylphenyl)-3-methylbenzoic acid?
4-(4-ethylphenyl)-3-methylbenzoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-methylbenzoic acid is sourced from PubChem (CID 53225239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).