2-[3-(3-ethylphenyl)phenyl]propanoic acid

C17H18O2 — CID 176514342

IUPAC2-[3-(3-ethylphenyl)phenyl]propanoic acid
SMILESCCc1cccc(-c2cccc(C(C)C(=O)O)c2)c1
InChIInChI=1S/C17H18O2/c1-3-13-6-4-8-15(10-13)16-9-5-7-14(11-16)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19)
InChIKeyUSYBBUFCXCRXKS-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.10
Rot. Bonds4

About 2-[3-(3-ethylphenyl)phenyl]propanoic acid

2-[3-(3-ethylphenyl)phenyl]propanoic acid (PubChem CID 176514342) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[3-(3-ethylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-ethylphenyl)phenyl]propanoic acid
PubChem CID176514342
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[3-(3-ethylphenyl)phenyl]propanoic acid
SMILESCCc1cccc(-c2cccc(C(C)C(=O)O)c2)c1
InChIInChI=1S/C17H18O2/c1-3-13-6-4-8-15(10-13)16-9-5-7-14(11-16)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19)
InChIKeyUSYBBUFCXCRXKS-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(3-ethylphenyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018
2-[3-(3,3-difluoropropyl)phenyl]propanoic acid
CID 84691838
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
2-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 82619611
1-ethyl-3-phenylbenzene;propane
CID 145466525
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-hydroxy-2-methylpropanoic acid
CID 175519098
2-[3-(4-ethyl-2-methylphenyl)phenyl]-2-hydroxyacetic acid
CID 143366195
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethylphenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(3-ethylphenyl)phenyl]propanoic acid (CID 176514342) is 2-[3-(3-ethylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(3-ethylphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(3-ethylphenyl)phenyl]propanoic acid is CCc1cccc(-c2cccc(C(C)C(=O)O)c2)c1.
What is the InChIKey of 2-[3-(3-ethylphenyl)phenyl]propanoic acid?
The InChIKey is USYBBUFCXCRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-13-6-4-8-15(10-13)16-9-5-7-14(11-16)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(3-ethylphenyl)phenyl]propanoic acid?
2-[3-(3-ethylphenyl)phenyl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 176514342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).