2-chloro-1-naphthalen-2-ylethanone

C12H9ClO — CID 12587404

IUPAC2-chloro-1-naphthalen-2-ylethanone
SMILESO=C(CCl)c1ccc2ccccc2c1
InChIInChI=1S/C12H9ClO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyNYJAUILLKSDBMH-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.26
Rot. Bonds2

About 2-chloro-1-naphthalen-2-ylethanone

2-chloro-1-naphthalen-2-ylethanone (PubChem CID 12587404) has the molecular formula C12H9ClO and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-chloro-1-naphthalen-2-ylethanone
PubChem CID12587404
Molecular FormulaC12H9ClO
Molecular Weight204.66 g/mol
Exact Mass204.03
IUPAC Name2-chloro-1-naphthalen-2-ylethanone
SMILESO=C(CCl)c1ccc2ccccc2c1
InChIInChI=1S/C12H9ClO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyNYJAUILLKSDBMH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Anthrone
CID 7018
Benzanthrone
CID 6697
2-Acetylnaphthalene
CID 7122
Phenalenone
CID 11050
2-Naphthalenecarboxaldehyde
CID 6201
1-Acetylnaphthalene
CID 13663
6-Acetyltetralin
CID 69885
1,4-Phenanthrenequinone
CID 98574
Ethanone, 2-chloro-1,2-diphenyl-
CID 95343
5-Methyl-1-tetralone
CID 81357
4,5-Pyrenedione
CID 160814
1,4-Chrysenedione
CID 180933

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-naphthalen-2-ylethanone?
The IUPAC name of 2-chloro-1-naphthalen-2-ylethanone (CID 12587404) is 2-chloro-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-chloro-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-chloro-1-naphthalen-2-ylethanone is O=C(CCl)c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-1-naphthalen-2-ylethanone?
The InChIKey is NYJAUILLKSDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2.
What are the key properties of 2-chloro-1-naphthalen-2-ylethanone?
2-chloro-1-naphthalen-2-ylethanone has a molecular weight of 204.66 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-naphthalen-2-ylethanone is sourced from PubChem (CID 12587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).