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

C16H15ClO2 — CID 82039106

IUPAC2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/c1-16(2,15(18)19)13-7-3-11(4-8-13)12-5-9-14(17)10-6-12/h3-10H,1-2H3,(H,18,19)
InChIKeyTYOZPZMTWZKWKL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.37
Rot. Bonds3

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

2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid (PubChem CID 82039106) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
PubChem CID82039106
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/c1-16(2,15(18)19)13-7-3-11(4-8-13)12-5-9-14(17)10-6-12/h3-10H,1-2H3,(H,18,19)
InChIKeyTYOZPZMTWZKWKL-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-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-methyl-2-[4-(4-nitrophenyl)phenyl]propanoic acid
CID 82039226
2-[4-[4-(2-carboxypropan-2-yl)phenyl]iodanuidylphenyl]-2-methylpropanoic acid
CID 140670155
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
(Z)-4-(4-chlorophenyl)-1-(dimethylamino)-4-methylpent-1-en-3-one
CID 68631125
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid (CID 82039106) is 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is TYOZPZMTWZKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-16(2,15(18)19)13-7-3-11(4-8-13)12-5-9-14(17)10-6-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid?
2-[4-(4-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-(4-chlorophenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 82039106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).