2-[2-(3,4-dimethylphenyl)phenyl]acetic acid

C16H16O2 — CID 82107017

IUPAC2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
SMILESCc1ccc(-c2ccccc2CC(=O)O)cc1C
InChIInChI=1S/C16H16O2/c1-11-7-8-14(9-12(11)2)15-6-4-3-5-13(15)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyWXAIRPJWGYQWAZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.60
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid

2-[2-(3,4-dimethylphenyl)phenyl]acetic acid (PubChem CID 82107017) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
PubChem CID82107017
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
SMILESCc1ccc(-c2ccccc2CC(=O)O)cc1C
InChIInChI=1S/C16H16O2/c1-11-7-8-14(9-12(11)2)15-6-4-3-5-13(15)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyWXAIRPJWGYQWAZ-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001590
2-[[2-(3,4-dimethylphenyl)phenyl]methylamino]acetamide
CID 19105302
2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile
CID 82107009
2-[2-(3-acetylphenyl)phenyl]acetic acid
CID 11572401
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-(2-methylphenyl)acetic acid
CID 67440217
2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
2-[2-(4-methylphenyl)phenyl]acetyl chloride
CID 23292502
2-[2-[(3,4-dimethylphenyl)sulfinylmethyl]phenyl]acetic acid
CID 115463227
2-[4-(3,4-dimethylphenyl)cyclohexa-1,3-dien-1-yl]acetic acid
CID 163529094
2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]acetic acid
CID 28808487

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid (CID 82107017) is 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid is Cc1ccc(-c2ccccc2CC(=O)O)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid?
The InChIKey is WXAIRPJWGYQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-7-8-14(9-12(11)2)15-6-4-3-5-13(15)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid?
2-[2-(3,4-dimethylphenyl)phenyl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)phenyl]acetic acid is sourced from PubChem (CID 82107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).