2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride

C11H13ClO3 — CID 91113458

IUPAC2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
SMILESCOc1cc(C)c(CC(=O)Cl)cc1OC
InChIInChI=1S/C11H13ClO3/c1-7-4-9(14-2)10(15-3)5-8(7)6-11(12)13/h4-5H,6H2,1-3H3
InChIKeyFATBDOXFYYWIMI-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.32
Rot. Bonds4

About 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride

2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride (PubChem CID 91113458) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
PubChem CID91113458
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
SMILESCOc1cc(C)c(CC(=O)Cl)cc1OC
InChIInChI=1S/C11H13ClO3/c1-7-4-9(14-2)10(15-3)5-8(7)6-11(12)13/h4-5H,6H2,1-3H3
InChIKeyFATBDOXFYYWIMI-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116929511
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
1-amino-3-[(4,5-dimethoxy-2-methylphenyl)methyl]urea
CID 115192661
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194766
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194111
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methylamino]propanoic acid
CID 83194866
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride (CID 91113458) is 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride is COc1cc(C)c(CC(=O)Cl)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride?
The InChIKey is FATBDOXFYYWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7-4-9(14-2)10(15-3)5-8(7)6-11(12)13/h4-5H,6H2,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride?
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride has a molecular weight of 228.67 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride is sourced from PubChem (CID 91113458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).