2-naphthalen-2-yl-2-oxoacetyl chloride

C12H7ClO2 — CID 19347531

IUPAC2-naphthalen-2-yl-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H7ClO2/c13-12(15)11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyANEUHMHLVRLBJA-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.79
Rot. Bonds2

About 2-naphthalen-2-yl-2-oxoacetyl chloride

2-naphthalen-2-yl-2-oxoacetyl chloride (PubChem CID 19347531) has the molecular formula C12H7ClO2 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-oxoacetyl chloride
PubChem CID19347531
Molecular FormulaC12H7ClO2
Molecular Weight218.64 g/mol
Exact Mass218.01
IUPAC Name2-naphthalen-2-yl-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H7ClO2/c13-12(15)11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyANEUHMHLVRLBJA-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
naphthalene-2-carboxylic acid
CID 175967775
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
potassium naphthalene-2-carboxylate
CID 23664129
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-oxoacetyl chloride?
The IUPAC name of 2-naphthalen-2-yl-2-oxoacetyl chloride (CID 19347531) is 2-naphthalen-2-yl-2-oxoacetyl chloride.
What is the SMILES notation for 2-naphthalen-2-yl-2-oxoacetyl chloride?
The canonical SMILES for 2-naphthalen-2-yl-2-oxoacetyl chloride is O=C(Cl)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-oxoacetyl chloride?
The InChIKey is ANEUHMHLVRLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO2/c13-12(15)11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-naphthalen-2-yl-2-oxoacetyl chloride?
2-naphthalen-2-yl-2-oxoacetyl chloride has a molecular weight of 218.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-oxoacetyl chloride is sourced from PubChem (CID 19347531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).