2-formyl-6-methoxy-3-methylbenzoyl chloride

C10H9ClO3 — CID 171022028

IUPAC2-formyl-6-methoxy-3-methylbenzoyl chloride
SMILESCOc1ccc(C)c(C=O)c1C(=O)Cl
InChIInChI=1S/C10H9ClO3/c1-6-3-4-8(14-2)9(10(11)13)7(6)5-12/h3-5H,1-2H3
InChIKeyWBKCRZXMFKOVMS-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.20
Rot. Bonds3

About 2-formyl-6-methoxy-3-methylbenzoyl chloride

2-formyl-6-methoxy-3-methylbenzoyl chloride (PubChem CID 171022028) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-formyl-6-methoxy-3-methylbenzoyl chloride.

Molecular Properties

Compound Name2-formyl-6-methoxy-3-methylbenzoyl chloride
PubChem CID171022028
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-formyl-6-methoxy-3-methylbenzoyl chloride
SMILESCOc1ccc(C)c(C=O)c1C(=O)Cl
InChIInChI=1S/C10H9ClO3/c1-6-3-4-8(14-2)9(10(11)13)7(6)5-12/h3-5H,1-2H3
InChIKeyWBKCRZXMFKOVMS-UHFFFAOYSA-N
XLogP2.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoacetyl)-3-methoxy-6-methylbenzaldehyde
CID 171022450
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
2-acetyl-6-iodo-3-methoxybenzaldehyde
CID 171015394
methyl 6-cyano-2-formyl-3-methylbenzoate
CID 131263068
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
6-cyano-3-methoxy-2-methylbenzoyl chloride
CID 171026837
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
CID 84631857
2,3,6-trimethylbenzoyl chloride
CID 20662008

Frequently Asked Questions

What is the IUPAC name of 2-formyl-6-methoxy-3-methylbenzoyl chloride?
The IUPAC name of 2-formyl-6-methoxy-3-methylbenzoyl chloride (CID 171022028) is 2-formyl-6-methoxy-3-methylbenzoyl chloride.
What is the SMILES notation for 2-formyl-6-methoxy-3-methylbenzoyl chloride?
The canonical SMILES for 2-formyl-6-methoxy-3-methylbenzoyl chloride is COc1ccc(C)c(C=O)c1C(=O)Cl.
What is the InChIKey of 2-formyl-6-methoxy-3-methylbenzoyl chloride?
The InChIKey is WBKCRZXMFKOVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-6-3-4-8(14-2)9(10(11)13)7(6)5-12/h3-5H,1-2H3.
What are the key properties of 2-formyl-6-methoxy-3-methylbenzoyl chloride?
2-formyl-6-methoxy-3-methylbenzoyl chloride has a molecular weight of 212.63 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-6-methoxy-3-methylbenzoyl chloride is sourced from PubChem (CID 171022028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).