alpha-Methylcinnamoylchloride

HCID 230201

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=Cc1ccccc1)C(=O)Cl
InChIKey: XHIRBFXXIZZLNG-UHFFFAOYSA-N
Molecular formula: C10H9ClO
Average molar mass: 180.63 g/mol
Monoisotopic mass: 180.0341926

Names & identifiers

Preferred name: alpha-Methylcinnamoylchloride
IUPAC: 2-methyl-3-phenylprop-2-enoyl chloride

Names & synonyms

methylcinnamoyl chloridealpha-methylcinnamoylchloridealpha-methylcinnamoyl chlorideSCHEMBL561119XHIRBFXXIZZLNG-UHFFFAOYSA-Nalpha-methyl cinnamic acid chloride2-methyl-3-phenyl-2-propenoyl chlorideDB-018042

Database identifiers

PubChem CID: 230201

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 190

Related reactions

14 records

New reaction record

HRID 266782As reactantuspto-grants-1997_07

HRID 349396As reactantuspto-grants-2007_02

HRID 429852As reactantuspto-grants-2001_11

HRID 483490As reactantuspto-grants-1993_07

HRID 586435As reactantuspto-grants-2005_08

HRID 935360As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 937710As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1140645As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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