2-[3-(4-ethylphenyl)phenyl]acetic acid

C16H16O2 — CID 1393629

IUPAC2-[3-(4-ethylphenyl)phenyl]acetic acid
SMILESCCc1ccc(-c2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C16H16O2/c1-2-12-6-8-14(9-7-12)15-5-3-4-13(10-15)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyOKWYOWXJZDHRLI-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.54
Rot. Bonds4

About 2-[3-(4-ethylphenyl)phenyl]acetic acid

2-[3-(4-ethylphenyl)phenyl]acetic acid (PubChem CID 1393629) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)phenyl]acetic acid
PubChem CID1393629
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[3-(4-ethylphenyl)phenyl]acetic acid
SMILESCCc1ccc(-c2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C16H16O2/c1-2-12-6-8-14(9-7-12)15-5-3-4-13(10-15)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyOKWYOWXJZDHRLI-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[4-(2-cyanopropan-2-yl)phenyl]phenyl]acetic acid
CID 122569216
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
CID 167952016
2-[3-[4-ethoxy-3-[[(4-ethylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59219150
2-[3-[4-(1,2-diaminoethyl)phenyl]phenyl]acetic acid
CID 170894464
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)benzamide
CID 54454087
2-[3-[4-[(E)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219180

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(4-ethylphenyl)phenyl]acetic acid (CID 1393629) is 2-[3-(4-ethylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(4-ethylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(4-ethylphenyl)phenyl]acetic acid is CCc1ccc(-c2cccc(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)phenyl]acetic acid?
The InChIKey is OKWYOWXJZDHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-12-6-8-14(9-7-12)15-5-3-4-13(10-15)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-ethylphenyl)phenyl]acetic acid?
2-[3-(4-ethylphenyl)phenyl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)phenyl]acetic acid is sourced from PubChem (CID 1393629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).