2-naphthalen-1-ylacetyl chloride

C12H9ClO — CID 2795386

IUPAC2-naphthalen-1-ylacetyl chloride
SMILESO=C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C12H9ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyDSVAZLXLRDXHKO-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.15
Rot. Bonds2

About 2-naphthalen-1-ylacetyl chloride

2-naphthalen-1-ylacetyl chloride (PubChem CID 2795386) has the molecular formula C12H9ClO and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-naphthalen-1-ylacetyl chloride.

Molecular Properties

Compound Name2-naphthalen-1-ylacetyl chloride
PubChem CID2795386
Molecular FormulaC12H9ClO
Molecular Weight204.66 g/mol
Exact Mass204.03
IUPAC Name2-naphthalen-1-ylacetyl chloride
SMILESO=C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C12H9ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyDSVAZLXLRDXHKO-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.15
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-naphthalen-1-ylacetyl chloride?
The IUPAC name of 2-naphthalen-1-ylacetyl chloride (CID 2795386) is 2-naphthalen-1-ylacetyl chloride.
What is the SMILES notation for 2-naphthalen-1-ylacetyl chloride?
The canonical SMILES for 2-naphthalen-1-ylacetyl chloride is O=C(Cl)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylacetyl chloride?
The InChIKey is DSVAZLXLRDXHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2.
What are the key properties of 2-naphthalen-1-ylacetyl chloride?
2-naphthalen-1-ylacetyl chloride has a molecular weight of 204.66 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylacetyl chloride is sourced from PubChem (CID 2795386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).