2-(3-cyclobutylphenyl)-5-methylbenzoic acid

C18H18O2 — CID 114605041

IUPAC2-(3-cyclobutylphenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2cccc(C3CCC3)c2)c(C(=O)O)c1
InChIInChI=1S/C18H18O2/c1-12-8-9-16(17(10-12)18(19)20)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13H,2,4-5H2,1H3,(H,19,20)
InChIKeyFECZGHXZNCGQAL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.63
Rot. Bonds3

About 2-(3-cyclobutylphenyl)-5-methylbenzoic acid

2-(3-cyclobutylphenyl)-5-methylbenzoic acid (PubChem CID 114605041) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-5-methylbenzoic acid
PubChem CID114605041
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(3-cyclobutylphenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2cccc(C3CCC3)c2)c(C(=O)O)c1
InChIInChI=1S/C18H18O2/c1-12-8-9-16(17(10-12)18(19)20)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13H,2,4-5H2,1H3,(H,19,20)
InChIKeyFECZGHXZNCGQAL-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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Related Compounds

2-(3-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605045
2-(3-cyclobutylphenyl)-5-methylaniline
CID 114605152
3-chloro-4-(3-cyclobutylphenyl)benzoic acid
CID 114605040
4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
CID 114605034
2-(3-cyanophenyl)-5-methylbenzoic acid
CID 53225050
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
2-(2-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605088
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
CID 83068338
2-phenyl-5-pyrazolidin-4-ylbenzoic acid
CID 171990959

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-5-methylbenzoic acid?
The IUPAC name of 2-(3-cyclobutylphenyl)-5-methylbenzoic acid (CID 114605041) is 2-(3-cyclobutylphenyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-cyclobutylphenyl)-5-methylbenzoic acid is Cc1ccc(-c2cccc(C3CCC3)c2)c(C(=O)O)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-5-methylbenzoic acid?
The InChIKey is FECZGHXZNCGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-8-9-16(17(10-12)18(19)20)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13H,2,4-5H2,1H3,(H,19,20).
What are the key properties of 2-(3-cyclobutylphenyl)-5-methylbenzoic acid?
2-(3-cyclobutylphenyl)-5-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-(3-cyclobutylphenyl)-5-methylbenzoic acid is sourced from PubChem (CID 114605041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).