2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid

C16H15ClO2 — CID 10236331

IUPAC2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO2/c1-16(2,15(18)19)13-8-6-11(7-9-13)12-4-3-5-14(17)10-12/h3-10H,1-2H3,(H,18,19)
InChIKeyDEXGHHMAPSVHCG-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.37
Rot. Bonds3

About 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid

2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid (PubChem CID 10236331) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
PubChem CID10236331
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO2/c1-16(2,15(18)19)13-8-6-11(7-9-13)12-4-3-5-14(17)10-12/h3-10H,1-2H3,(H,18,19)
InChIKeyDEXGHHMAPSVHCG-UHFFFAOYSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232920
2-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]propanoic acid
CID 176514258
2-methyl-2-[4-(4-nitrophenyl)phenyl]propanoic acid
CID 82039226
4-(3-chlorophenyl)benzoate
CID 7021697
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
CID 82092597
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
2-[3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 162663752
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid (CID 10236331) is 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is DEXGHHMAPSVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-16(2,15(18)19)13-8-6-11(7-9-13)12-4-3-5-14(17)10-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid?
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 274.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 10236331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).