3-(2,5-dimethylphenyl)benzoic acid

C15H14O2 — CID 39246828

IUPAC3-(2,5-dimethylphenyl)benzoic acid
SMILESCc1ccc(C)c(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H14O2/c1-10-6-7-11(2)14(8-10)12-4-3-5-13(9-12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyABYDLDPPTUIJHA-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.67
Rot. Bonds2

About 3-(2,5-dimethylphenyl)benzoic acid

3-(2,5-dimethylphenyl)benzoic acid (PubChem CID 39246828) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)benzoic acid
PubChem CID39246828
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name3-(2,5-dimethylphenyl)benzoic acid
SMILESCc1ccc(C)c(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H14O2/c1-10-6-7-11(2)14(8-10)12-4-3-5-13(9-12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyABYDLDPPTUIJHA-UHFFFAOYSA-N
XLogP3.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)benzoic acid?
The IUPAC name of 3-(2,5-dimethylphenyl)benzoic acid (CID 39246828) is 3-(2,5-dimethylphenyl)benzoic acid.
What is the SMILES notation for 3-(2,5-dimethylphenyl)benzoic acid?
The canonical SMILES for 3-(2,5-dimethylphenyl)benzoic acid is Cc1ccc(C)c(-c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)benzoic acid?
The InChIKey is ABYDLDPPTUIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-6-7-11(2)14(8-10)12-4-3-5-13(9-12)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-(2,5-dimethylphenyl)benzoic acid?
3-(2,5-dimethylphenyl)benzoic acid has a molecular weight of 226.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)benzoic acid is sourced from PubChem (CID 39246828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).