2-(2-cyclobutylphenyl)-4-methylbenzoic acid

C18H18O2 — CID 114605088

IUPAC2-(2-cyclobutylphenyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(-c2ccccc2C2CCC2)c1
InChIInChI=1S/C18H18O2/c1-12-9-10-16(18(19)20)17(11-12)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-11,13H,4-6H2,1H3,(H,19,20)
InChIKeyHCZALUMHVRUCCQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.63
Rot. Bonds3

About 2-(2-cyclobutylphenyl)-4-methylbenzoic acid

2-(2-cyclobutylphenyl)-4-methylbenzoic acid (PubChem CID 114605088) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-cyclobutylphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-cyclobutylphenyl)-4-methylbenzoic acid
PubChem CID114605088
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(2-cyclobutylphenyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(-c2ccccc2C2CCC2)c1
InChIInChI=1S/C18H18O2/c1-12-9-10-16(18(19)20)17(11-12)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-11,13H,4-6H2,1H3,(H,19,20)
InChIKeyHCZALUMHVRUCCQ-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylphenyl)-4-methylbenzoic acid?
The IUPAC name of 2-(2-cyclobutylphenyl)-4-methylbenzoic acid (CID 114605088) is 2-(2-cyclobutylphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 2-(2-cyclobutylphenyl)-4-methylbenzoic acid?
The canonical SMILES for 2-(2-cyclobutylphenyl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(-c2ccccc2C2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutylphenyl)-4-methylbenzoic acid?
The InChIKey is HCZALUMHVRUCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-9-10-16(18(19)20)17(11-12)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-11,13H,4-6H2,1H3,(H,19,20).
What are the key properties of 2-(2-cyclobutylphenyl)-4-methylbenzoic acid?
2-(2-cyclobutylphenyl)-4-methylbenzoic acid has a molecular weight of 266.34 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 114605088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).