2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid

C16H15ClO2 — CID 82023364

IUPAC2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid
SMILESCc1ccc(C)c(C(C(=O)O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClO2/c1-10-6-7-11(2)14(8-10)15(16(18)19)12-4-3-5-13(17)9-12/h3-9,15H,1-2H3,(H,18,19)
InChIKeyWRTXAZIEPOIIRD-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid

2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid (PubChem CID 82023364) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid
PubChem CID82023364
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid
SMILESCc1ccc(C)c(C(C(=O)O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClO2/c1-10-6-7-11(2)14(8-10)15(16(18)19)12-4-3-5-13(17)9-12/h3-9,15H,1-2H3,(H,18,19)
InChIKeyWRTXAZIEPOIIRD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
2-(2,5-dimethylphenyl)-3-phenylbutanoic acid
CID 82140170
2-(3-chlorophenyl)-3-(2,5-dimethylphenyl)-3-oxopropanenitrile
CID 43333987
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid (CID 82023364) is 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid is Cc1ccc(C)c(C(C(=O)O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid?
The InChIKey is WRTXAZIEPOIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-6-7-11(2)14(8-10)15(16(18)19)12-4-3-5-13(17)9-12/h3-9,15H,1-2H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid?
2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid has a molecular weight of 274.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 82023364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).