2-[4-(2,5-dimethylphenyl)phenyl]acetic acid

C16H16O2 — CID 82044426

IUPAC2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
SMILESCc1ccc(C)c(-c2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C16H16O2/c1-11-3-4-12(2)15(9-11)14-7-5-13(6-8-14)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBXCCNTUKQOLJLA-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid

2-[4-(2,5-dimethylphenyl)phenyl]acetic acid (PubChem CID 82044426) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
PubChem CID82044426
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
SMILESCc1ccc(C)c(-c2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C16H16O2/c1-11-3-4-12(2)15(9-11)14-7-5-13(6-8-14)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBXCCNTUKQOLJLA-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

lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001558
2-[4-(2,5-dimethylphenyl)phenyl]-2-oxoacetic acid
CID 82120057
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152
2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-[4-methyl-3-[2-[2-(4-methylphenyl)acetyl]oxyacetyl]phenyl]acetic acid
CID 86053816
2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
CID 68810177
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid (CID 82044426) is 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid is Cc1ccc(C)c(-c2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid?
The InChIKey is BXCCNTUKQOLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-3-4-12(2)15(9-11)14-7-5-13(6-8-14)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2,5-dimethylphenyl)phenyl]acetic acid?
2-[4-(2,5-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-[4-(2,5-dimethylphenyl)phenyl]acetic acid is sourced from PubChem (CID 82044426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).