2-phenylacetyl chloride

C8H7ClO — CID 7679

IUPAC2-phenylacetyl chloride
SMILESO=C(Cl)Cc1ccccc1
InChIInChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyVMZCDNSFRSVYKQ-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.99
Rot. Bonds2

About 2-phenylacetyl chloride

2-phenylacetyl chloride (PubChem CID 7679) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-phenylacetyl chloride.

Molecular Properties

Compound Name2-phenylacetyl chloride
PubChem CID7679
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name2-phenylacetyl chloride
SMILESO=C(Cl)Cc1ccccc1
InChIInChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyVMZCDNSFRSVYKQ-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-phenylacetyl chloride?
The IUPAC name of 2-phenylacetyl chloride (CID 7679) is 2-phenylacetyl chloride.
What is the SMILES notation for 2-phenylacetyl chloride?
The canonical SMILES for 2-phenylacetyl chloride is O=C(Cl)Cc1ccccc1.
What is the InChIKey of 2-phenylacetyl chloride?
The InChIKey is VMZCDNSFRSVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenylacetyl chloride?
2-phenylacetyl chloride has a molecular weight of 154.60 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylacetyl chloride is sourced from PubChem (CID 7679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).