2-cyclobutyl-3,4-dimethylbenzoic acid

C13H16O2 — CID 142717985

IUPAC2-cyclobutyl-3,4-dimethylbenzoic acid
SMILESCc1ccc(C(=O)O)c(C2CCC2)c1C
InChIInChI=1S/C13H16O2/c1-8-6-7-11(13(14)15)12(9(8)2)10-4-3-5-10/h6-7,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyOFCSCOXMQWHDOH-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.27
Rot. Bonds2

About 2-cyclobutyl-3,4-dimethylbenzoic acid

2-cyclobutyl-3,4-dimethylbenzoic acid (PubChem CID 142717985) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclobutyl-3,4-dimethylbenzoic acid.

Molecular Properties

Compound Name2-cyclobutyl-3,4-dimethylbenzoic acid
PubChem CID142717985
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclobutyl-3,4-dimethylbenzoic acid
SMILESCc1ccc(C(=O)O)c(C2CCC2)c1C
InChIInChI=1S/C13H16O2/c1-8-6-7-11(13(14)15)12(9(8)2)10-4-3-5-10/h6-7,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyOFCSCOXMQWHDOH-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-cyclobutyl-3,4-dimethylphenyl)methanone
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1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
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4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 96609064
4-cyclobutyl-2-ethyl-3-methylbenzoic acid
CID 142717981
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
2-cyclopropyl-3-[(R)-cyclopropylmethylsulfinyl]-4-methylbenzoic acid
CID 125468390
cyclohexane;2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 67877311
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
2-fluoro-3,4-dimethylbenzoic acid
CID 58240541
3-amino-2-cyclohexyl-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3,4-dimethylbenzoic acid?
The IUPAC name of 2-cyclobutyl-3,4-dimethylbenzoic acid (CID 142717985) is 2-cyclobutyl-3,4-dimethylbenzoic acid.
What is the SMILES notation for 2-cyclobutyl-3,4-dimethylbenzoic acid?
The canonical SMILES for 2-cyclobutyl-3,4-dimethylbenzoic acid is Cc1ccc(C(=O)O)c(C2CCC2)c1C.
What is the InChIKey of 2-cyclobutyl-3,4-dimethylbenzoic acid?
The InChIKey is OFCSCOXMQWHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-6-7-11(13(14)15)12(9(8)2)10-4-3-5-10/h6-7,10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclobutyl-3,4-dimethylbenzoic acid?
2-cyclobutyl-3,4-dimethylbenzoic acid has a molecular weight of 204.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3,4-dimethylbenzoic acid is sourced from PubChem (CID 142717985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).