3-acetyl-2-hydroxy-5-methylbenzoyl chloride

C10H9ClO3 — CID 119092353

IUPAC3-acetyl-2-hydroxy-5-methylbenzoyl chloride
SMILESCC(=O)c1cc(C)cc(C(=O)Cl)c1O
InChIInChI=1S/C10H9ClO3/c1-5-3-7(6(2)12)9(13)8(4-5)10(11)14/h3-4,13H,1-2H3
InChIKeyDCTVQZCFSWHQNC-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.28
Rot. Bonds2

About 3-acetyl-2-hydroxy-5-methylbenzoyl chloride

3-acetyl-2-hydroxy-5-methylbenzoyl chloride (PubChem CID 119092353) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 3-acetyl-2-hydroxy-5-methylbenzoyl chloride.

Molecular Properties

Compound Name3-acetyl-2-hydroxy-5-methylbenzoyl chloride
PubChem CID119092353
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name3-acetyl-2-hydroxy-5-methylbenzoyl chloride
SMILESCC(=O)c1cc(C)cc(C(=O)Cl)c1O
InChIInChI=1S/C10H9ClO3/c1-5-3-7(6(2)12)9(13)8(4-5)10(11)14/h3-4,13H,1-2H3
InChIKeyDCTVQZCFSWHQNC-UHFFFAOYSA-N
XLogP2.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-hydroxy-5-methylbenzoyl chloride?
The IUPAC name of 3-acetyl-2-hydroxy-5-methylbenzoyl chloride (CID 119092353) is 3-acetyl-2-hydroxy-5-methylbenzoyl chloride.
What is the SMILES notation for 3-acetyl-2-hydroxy-5-methylbenzoyl chloride?
The canonical SMILES for 3-acetyl-2-hydroxy-5-methylbenzoyl chloride is CC(=O)c1cc(C)cc(C(=O)Cl)c1O.
What is the InChIKey of 3-acetyl-2-hydroxy-5-methylbenzoyl chloride?
The InChIKey is DCTVQZCFSWHQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-5-3-7(6(2)12)9(13)8(4-5)10(11)14/h3-4,13H,1-2H3.
What are the key properties of 3-acetyl-2-hydroxy-5-methylbenzoyl chloride?
3-acetyl-2-hydroxy-5-methylbenzoyl chloride has a molecular weight of 212.63 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-hydroxy-5-methylbenzoyl chloride is sourced from PubChem (CID 119092353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).