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

C14H12O2 — CID 13300196

IUPAC1-(3-acetylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C14H12O2/c1-9(15)13-7-11-5-3-4-6-12(11)8-14(13)10(2)16/h3-8H,1-2H3
InChIKeyIQNLEWZRWUQJLE-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.24
Rot. Bonds2

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

1-(3-acetylnaphthalen-2-yl)ethanone (PubChem CID 13300196) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(3-acetylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetylnaphthalen-2-yl)ethanone
PubChem CID13300196
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1-(3-acetylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C14H12O2/c1-9(15)13-7-11-5-3-4-6-12(11)8-14(13)10(2)16/h3-8H,1-2H3
InChIKeyIQNLEWZRWUQJLE-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
1-[3-(methylamino)naphthalen-2-yl]ethanone
CID 58772657
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
calcium naphthalene-2,3-dicarboxylate
CID 101297436
CID 70080980
CID 70080980
3-acetyl-1-aminoquinolin-2-one
CID 166438686
methane;naphthalene;propan-2-one
CID 159038766
1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone
CID 23015879
1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone
CID 53343990
1-(2,3,4-triacetylpentacen-1-yl)ethanone
CID 87274397
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-acetylnaphthalen-2-yl)ethanone (CID 13300196) is 1-(3-acetylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-acetylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-acetylnaphthalen-2-yl)ethanone is CC(=O)c1cc2ccccc2cc1C(C)=O.
What is the InChIKey of 1-(3-acetylnaphthalen-2-yl)ethanone?
The InChIKey is IQNLEWZRWUQJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-9(15)13-7-11-5-3-4-6-12(11)8-14(13)10(2)16/h3-8H,1-2H3.
What are the key properties of 1-(3-acetylnaphthalen-2-yl)ethanone?
1-(3-acetylnaphthalen-2-yl)ethanone has a molecular weight of 212.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 13300196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).