2-methoxy-3,4,6-trimethylbenzoyl chloride

C11H13ClO2 — CID 116924656

IUPAC2-methoxy-3,4,6-trimethylbenzoyl chloride
SMILESCOc1c(C)c(C)cc(C)c1C(=O)Cl
InChIInChI=1S/C11H13ClO2/c1-6-5-7(2)9(11(12)13)10(14-4)8(6)3/h5H,1-4H3
InChIKeyWUWBDQNACUYDIY-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.00
Rot. Bonds2

About 2-methoxy-3,4,6-trimethylbenzoyl chloride

2-methoxy-3,4,6-trimethylbenzoyl chloride (PubChem CID 116924656) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-methoxy-3,4,6-trimethylbenzoyl chloride.

Molecular Properties

Compound Name2-methoxy-3,4,6-trimethylbenzoyl chloride
PubChem CID116924656
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-methoxy-3,4,6-trimethylbenzoyl chloride
SMILESCOc1c(C)c(C)cc(C)c1C(=O)Cl
InChIInChI=1S/C11H13ClO2/c1-6-5-7(2)9(11(12)13)10(14-4)8(6)3/h5H,1-4H3
InChIKeyWUWBDQNACUYDIY-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
(E)-4-(2-methoxy-3,4,6-trimethylphenyl)-4-oxobut-2-enoic acid
CID 116919495
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
2-(2-methoxy-3,4,6-trimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918593
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
2,4-diiodo-3-methoxy-6-methylbenzoyl chloride
CID 163968240
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
(1-aminocyclopropyl)-(2-methoxy-3,4,6-trimethylphenyl)methanone
CID 116924371
2,6-dimethoxy-3,4-dimethylbenzamide
CID 175082400
2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one
CID 116826840
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
2-bromo-4-methoxy-6-methylbenzoyl chloride
CID 171004487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4,6-trimethylbenzoyl chloride?
The IUPAC name of 2-methoxy-3,4,6-trimethylbenzoyl chloride (CID 116924656) is 2-methoxy-3,4,6-trimethylbenzoyl chloride.
What is the SMILES notation for 2-methoxy-3,4,6-trimethylbenzoyl chloride?
The canonical SMILES for 2-methoxy-3,4,6-trimethylbenzoyl chloride is COc1c(C)c(C)cc(C)c1C(=O)Cl.
What is the InChIKey of 2-methoxy-3,4,6-trimethylbenzoyl chloride?
The InChIKey is WUWBDQNACUYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-6-5-7(2)9(11(12)13)10(14-4)8(6)3/h5H,1-4H3.
What are the key properties of 2-methoxy-3,4,6-trimethylbenzoyl chloride?
2-methoxy-3,4,6-trimethylbenzoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4,6-trimethylbenzoyl chloride is sourced from PubChem (CID 116924656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).