6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione

C13H12O3 — CID 142994874

IUPAC6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione
SMILESCC(=O)c1ccc2c(c1)C(=O)CC(C)C2=O
InChIInChI=1S/C13H12O3/c1-7-5-12(15)11-6-9(8(2)14)3-4-10(11)13(7)16/h3-4,6-7H,5H2,1-2H3
InChIKeyOYVCAEAAHMKJBB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.29
Rot. Bonds1

About 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione

6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione (PubChem CID 142994874) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione
PubChem CID142994874
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione
SMILESCC(=O)c1ccc2c(c1)C(=O)CC(C)C2=O
InChIInChI=1S/C13H12O3/c1-7-5-12(15)11-6-9(8(2)14)3-4-10(11)13(7)16/h3-4,6-7H,5H2,1-2H3
InChIKeyOYVCAEAAHMKJBB-UHFFFAOYSA-N
XLogP2.29
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2-methyl-4-oxo-2,3-dihydroquinoline-6-carboxylic acid
CID 90293354
1-(3,8-dimethylazulen-5-yl)ethanone
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(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228
1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655
5-acetyl-1-benzofuran-3-one
CID 23008718
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
(5-acetyl-2-hydroxyphenyl)astatine
CID 177043145
5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione
CID 21024157
6-acetyl-2-methylidenechromen-4-one
CID 89241349

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione?
The IUPAC name of 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione (CID 142994874) is 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione.
What is the SMILES notation for 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione?
The canonical SMILES for 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione is CC(=O)c1ccc2c(c1)C(=O)CC(C)C2=O.
What is the InChIKey of 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione?
The InChIKey is OYVCAEAAHMKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-7-5-12(15)11-6-9(8(2)14)3-4-10(11)13(7)16/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione?
6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione has a molecular weight of 216.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 142994874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).