3-(3,4-dichlorophenyl)-3-phenylpropanoic acid

C15H12Cl2O2 — CID 3018921

IUPAC3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c16-13-7-6-11(8-14(13)17)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19)
InChIKeyJRHMQMLBHSQASA-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.60
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid

3-(3,4-dichlorophenyl)-3-phenylpropanoic acid (PubChem CID 3018921) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
PubChem CID3018921
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c16-13-7-6-11(8-14(13)17)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19)
InChIKeyJRHMQMLBHSQASA-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dichlorophenyl)-3-phenylpropanoic 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

3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid
CID 22218648
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
(3S)-3-(3,4-dichlorophenyl)-3-phenoxypropanoic acid
CID 145185611
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
(3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoic acid
CID 71188458
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
CID 78961882
3-[2-(3,4-dichlorophenyl)propanoylamino]butanoic acid
CID 119221515
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid (CID 3018921) is 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid?
The InChIKey is JRHMQMLBHSQASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-13-7-6-11(8-14(13)17)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19).
What are the key properties of 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid?
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid has a molecular weight of 295.17 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 3018921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).