1-naphthalen-1-ylethanone

C12H10O — CID 13663

IUPAC1-naphthalen-1-ylethanone
SMILESCC(=O)c1cccc2ccccc12
InChIInChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
InChIKeyQQLIGMASAVJVON-UHFFFAOYSA-N
MW170.21 g/mol
LogP3.04
Rot. Bonds1

About 1-naphthalen-1-ylethanone

1-naphthalen-1-ylethanone (PubChem CID 13663) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-naphthalen-1-ylethanone
PubChem CID13663
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name1-naphthalen-1-ylethanone
SMILESCC(=O)c1cccc2ccccc12
InChIInChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
InChIKeyQQLIGMASAVJVON-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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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethanone?
The IUPAC name of 1-naphthalen-1-ylethanone (CID 13663) is 1-naphthalen-1-ylethanone.
What is the SMILES notation for 1-naphthalen-1-ylethanone?
The canonical SMILES for 1-naphthalen-1-ylethanone is CC(=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethanone?
The InChIKey is QQLIGMASAVJVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3.
What are the key properties of 1-naphthalen-1-ylethanone?
1-naphthalen-1-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-1-ylethanone is sourced from PubChem (CID 13663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).