1-naphthalen-2-ylethanone

C12H10O — CID 7122

IUPAC1-naphthalen-2-ylethanone
SMILESCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChIKeyXSAYZAUNJMRRIR-UHFFFAOYSA-N
MW170.21 g/mol
LogP3.04
Rot. Bonds1

About 1-naphthalen-2-ylethanone

1-naphthalen-2-ylethanone (PubChem CID 7122) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-naphthalen-2-ylethanone
PubChem CID7122
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name1-naphthalen-2-ylethanone
SMILESCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChIKeyXSAYZAUNJMRRIR-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Menadione
CID 4055
Anthraquinone
CID 6780
1,2-Naphthoquinone
CID 10667
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
Chalcone
CID 637760
Tonalide
CID 89440
Benzanthrone
CID 6697
1-Naphthaldehyde
CID 6195
Benzil
CID 8651
Miltirone
CID 160142

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethanone?
The IUPAC name of 1-naphthalen-2-ylethanone (CID 7122) is 1-naphthalen-2-ylethanone.
What is the SMILES notation for 1-naphthalen-2-ylethanone?
The canonical SMILES for 1-naphthalen-2-ylethanone is CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethanone?
The InChIKey is XSAYZAUNJMRRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3.
What are the key properties of 1-naphthalen-2-ylethanone?
1-naphthalen-2-ylethanone has a molecular weight of 170.21 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethanone is sourced from PubChem (CID 7122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).