5-chloro-2-(2-methylpropanoyl)benzoic acid

C11H11ClO3 — CID 154678261

IUPAC5-chloro-2-(2-methylpropanoyl)benzoic acid
SMILESCC(C)C(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H11ClO3/c1-6(2)10(13)8-4-3-7(12)5-9(8)11(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyWFTUIMNZZCBBJT-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-2-(2-methylpropanoyl)benzoic acid

5-chloro-2-(2-methylpropanoyl)benzoic acid (PubChem CID 154678261) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropanoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropanoyl)benzoic acid
PubChem CID154678261
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name5-chloro-2-(2-methylpropanoyl)benzoic acid
SMILESCC(C)C(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H11ClO3/c1-6(2)10(13)8-4-3-7(12)5-9(8)11(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyWFTUIMNZZCBBJT-UHFFFAOYSA-N
XLogP2.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(2-methylpropanoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyl-5-chlorobenzoic acid
CID 11229391
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
2-aminooxycarbonyl-5-chlorobenzoic acid
CID 174257906
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-[1-carboxyethyl(methyl)amino]-5-chlorobenzoic acid
CID 19750856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropanoyl)benzoic acid?
The IUPAC name of 5-chloro-2-(2-methylpropanoyl)benzoic acid (CID 154678261) is 5-chloro-2-(2-methylpropanoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-methylpropanoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-methylpropanoyl)benzoic acid is CC(C)C(=O)c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-methylpropanoyl)benzoic acid?
The InChIKey is WFTUIMNZZCBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-6(2)10(13)8-4-3-7(12)5-9(8)11(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-chloro-2-(2-methylpropanoyl)benzoic acid?
5-chloro-2-(2-methylpropanoyl)benzoic acid has a molecular weight of 226.66 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropanoyl)benzoic acid is sourced from PubChem (CID 154678261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).