5-methyl-2-[(4-methylphenyl)methyl]benzoic acid

C16H16O2 — CID 15740404

IUPAC5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
SMILESCc1ccc(Cc2ccc(C)cc2C(=O)O)cc1
InChIInChI=1S/C16H16O2/c1-11-3-6-13(7-4-11)10-14-8-5-12(2)9-15(14)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyJFLHFCDSTALGDA-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.59
Rot. Bonds3

About 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid

5-methyl-2-[(4-methylphenyl)methyl]benzoic acid (PubChem CID 15740404) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
PubChem CID15740404
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
SMILESCc1ccc(Cc2ccc(C)cc2C(=O)O)cc1
InChIInChI=1S/C16H16O2/c1-11-3-6-13(7-4-11)10-14-8-5-12(2)9-15(14)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyJFLHFCDSTALGDA-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid?
The IUPAC name of 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid (CID 15740404) is 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid?
The canonical SMILES for 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid is Cc1ccc(Cc2ccc(C)cc2C(=O)O)cc1.
What is the InChIKey of 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid?
The InChIKey is JFLHFCDSTALGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-3-6-13(7-4-11)10-14-8-5-12(2)9-15(14)16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid?
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methylphenyl)methyl]benzoic acid is sourced from PubChem (CID 15740404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).