2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid

C15H20O2 — CID 165178848

IUPAC2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid
SMILESCc1ccc(C(=O)O)c(C2CC2)c1CC(C)C
InChIInChI=1S/C15H20O2/c1-9(2)8-13-10(3)4-7-12(15(16)17)14(13)11-5-6-11/h4,7,9,11H,5-6,8H2,1-3H3,(H,16,17)
InChIKeyHRXADOROICRWMT-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.77
Rot. Bonds4

About 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid

2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid (PubChem CID 165178848) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid
PubChem CID165178848
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid
SMILESCc1ccc(C(=O)O)c(C2CC2)c1CC(C)C
InChIInChI=1S/C15H20O2/c1-9(2)8-13-10(3)4-7-12(15(16)17)14(13)11-5-6-11/h4,7,9,11H,5-6,8H2,1-3H3,(H,16,17)
InChIKeyHRXADOROICRWMT-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-3,4-dimethylbenzoic acid
CID 142717985
2-cyclopropyl-3-[(R)-cyclopropylmethylsulfinyl]-4-methylbenzoic acid
CID 125468390
4-cyclohexyl-3-(2-methylpropyl)phthalic acid
CID 69475317
2,3-bis(4-hydroxycyclohexyl)terephthalic acid
CID 67893877
4-ethyl-2-(2-methylpropyl)benzene-1,3-dicarboxylic acid
CID 154102883
4-methyl-2-[2-(3-methylbutyl)cyclopropyl]benzene-1,3-dicarboxylic acid
CID 174626117
2-cyclopropyl-3-methylsulfonyl-4-propan-2-ylbenzoic acid
CID 125468442
2-(2-cyclopropylpropyl)benzene-1,3-dicarboxylic acid
CID 174763989
4-methyl-3-(8-methylnonyl)phthalic acid
CID 69474382
1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
CID 115057687
4-methyl-3-(14-methylpentadecyl)phthalic acid
CID 69473037
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid (CID 165178848) is 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid is Cc1ccc(C(=O)O)c(C2CC2)c1CC(C)C.
What is the InChIKey of 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid?
The InChIKey is HRXADOROICRWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)8-13-10(3)4-7-12(15(16)17)14(13)11-5-6-11/h4,7,9,11H,5-6,8H2,1-3H3,(H,16,17).
What are the key properties of 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid?
2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid is sourced from PubChem (CID 165178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).