1-(3-chloronaphthalen-2-yl)ethanone

C12H9ClO — CID 131563737

IUPAC1-(3-chloronaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C12H9ClO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-7H,1H3
InChIKeyNWFUAJMTJTVFFY-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.70
Rot. Bonds1

About 1-(3-chloronaphthalen-2-yl)ethanone

1-(3-chloronaphthalen-2-yl)ethanone (PubChem CID 131563737) has the molecular formula C12H9ClO and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(3-chloronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloronaphthalen-2-yl)ethanone
PubChem CID131563737
Molecular FormulaC12H9ClO
Molecular Weight204.66 g/mol
Exact Mass204.03
IUPAC Name1-(3-chloronaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C12H9ClO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-7H,1H3
InChIKeyNWFUAJMTJTVFFY-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
tert-butyl 3-chloronaphthalene-2-carboxylate
CID 133063668
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1-[3-(methylamino)naphthalen-2-yl]ethanone
CID 58772657
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
1-(2-chloro-5-methylsulfinylphenyl)ethanone
CID 23464958
1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-chloronaphthalen-2-yl)ethanone (CID 131563737) is 1-(3-chloronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-chloronaphthalen-2-yl)ethanone is CC(=O)c1cc2ccccc2cc1Cl.
What is the InChIKey of 1-(3-chloronaphthalen-2-yl)ethanone?
The InChIKey is NWFUAJMTJTVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-7H,1H3.
What are the key properties of 1-(3-chloronaphthalen-2-yl)ethanone?
1-(3-chloronaphthalen-2-yl)ethanone has a molecular weight of 204.66 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloronaphthalen-2-yl)ethanone is sourced from PubChem (CID 131563737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).