2-methyl-5-(3-methylphenyl)benzoic acid

C15H14O2 — CID 65309585

IUPAC2-methyl-5-(3-methylphenyl)benzoic acid
SMILESCc1cccc(-c2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C15H14O2/c1-10-4-3-5-12(8-10)13-7-6-11(2)14(9-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyOSARHKSOJBOEJY-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.67
Rot. Bonds2

About 2-methyl-5-(3-methylphenyl)benzoic acid

2-methyl-5-(3-methylphenyl)benzoic acid (PubChem CID 65309585) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-methyl-5-(3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(3-methylphenyl)benzoic acid
PubChem CID65309585
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-methyl-5-(3-methylphenyl)benzoic acid
SMILESCc1cccc(-c2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C15H14O2/c1-10-4-3-5-12(8-10)13-7-6-11(2)14(9-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyOSARHKSOJBOEJY-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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Related Compounds

5-(3-hydroxy-5-methylphenyl)-2-methylbenzoic acid
CID 155571081
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
CID 125456461
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one;4-methylbenzene-1,3-dicarboxylic acid
CID 174719896
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 130289090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylphenyl)benzoic acid?
The IUPAC name of 2-methyl-5-(3-methylphenyl)benzoic acid (CID 65309585) is 2-methyl-5-(3-methylphenyl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(3-methylphenyl)benzoic acid?
The canonical SMILES for 2-methyl-5-(3-methylphenyl)benzoic acid is Cc1cccc(-c2ccc(C)c(C(=O)O)c2)c1.
What is the InChIKey of 2-methyl-5-(3-methylphenyl)benzoic acid?
The InChIKey is OSARHKSOJBOEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-4-3-5-12(8-10)13-7-6-11(2)14(9-13)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-(3-methylphenyl)benzoic acid?
2-methyl-5-(3-methylphenyl)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 2-methyl-5-(3-methylphenyl)benzoic acid is sourced from PubChem (CID 65309585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).