3-methoxy-2-methylbenzoyl chloride

C9H9ClO2 — CID 14719554

IUPAC3-methoxy-2-methylbenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1C
InChIInChI=1S/C9H9ClO2/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
InChIKeyBXKZGIVKHPCDFO-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.38
Rot. Bonds2

About 3-methoxy-2-methylbenzoyl chloride

3-methoxy-2-methylbenzoyl chloride (PubChem CID 14719554) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 3-methoxy-2-methylbenzoyl chloride.

Molecular Properties

Compound Name3-methoxy-2-methylbenzoyl chloride
PubChem CID14719554
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name3-methoxy-2-methylbenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1C
InChIInChI=1S/C9H9ClO2/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
InChIKeyBXKZGIVKHPCDFO-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-2-methylbenzoyl chloride?
The IUPAC name of 3-methoxy-2-methylbenzoyl chloride (CID 14719554) is 3-methoxy-2-methylbenzoyl chloride.
What is the SMILES notation for 3-methoxy-2-methylbenzoyl chloride?
The canonical SMILES for 3-methoxy-2-methylbenzoyl chloride is COc1cccc(C(=O)Cl)c1C.
What is the InChIKey of 3-methoxy-2-methylbenzoyl chloride?
The InChIKey is BXKZGIVKHPCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3.
What are the key properties of 3-methoxy-2-methylbenzoyl chloride?
3-methoxy-2-methylbenzoyl chloride has a molecular weight of 184.62 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylbenzoyl chloride is sourced from PubChem (CID 14719554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).