1-(7-acetylanthracen-2-yl)ethanone

C18H14O2 — CID 139364083

IUPAC1-(7-acetylanthracen-2-yl)ethanone
SMILESCC(=O)c1ccc2cc3ccc(C(C)=O)cc3cc2c1
InChIInChI=1S/C18H14O2/c1-11(19)13-3-5-15-9-16-6-4-14(12(2)20)8-18(16)10-17(15)7-13/h3-10H,1-2H3
InChIKeyZQPUCCINLNFDDA-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.40
Rot. Bonds2

About 1-(7-acetylanthracen-2-yl)ethanone

1-(7-acetylanthracen-2-yl)ethanone (PubChem CID 139364083) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(7-acetylanthracen-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-acetylanthracen-2-yl)ethanone
PubChem CID139364083
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1-(7-acetylanthracen-2-yl)ethanone
SMILESCC(=O)c1ccc2cc3ccc(C(C)=O)cc3cc2c1
InChIInChI=1S/C18H14O2/c1-11(19)13-3-5-15-9-16-6-4-14(12(2)20)8-18(16)10-17(15)7-13/h3-10H,1-2H3
InChIKeyZQPUCCINLNFDDA-UHFFFAOYSA-N
XLogP4.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(7-acetylanthracen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone
CID 67779673
1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
CID 123412123
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
CID 22152811
anthracene-2,6-dicarboxylate
CID 86309851
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
CID 173455437
2-(6-acetylnaphthalen-2-yl)acetonitrile
CID 13404143
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365

Frequently Asked Questions

What is the IUPAC name of 1-(7-acetylanthracen-2-yl)ethanone?
The IUPAC name of 1-(7-acetylanthracen-2-yl)ethanone (CID 139364083) is 1-(7-acetylanthracen-2-yl)ethanone.
What is the SMILES notation for 1-(7-acetylanthracen-2-yl)ethanone?
The canonical SMILES for 1-(7-acetylanthracen-2-yl)ethanone is CC(=O)c1ccc2cc3ccc(C(C)=O)cc3cc2c1.
What is the InChIKey of 1-(7-acetylanthracen-2-yl)ethanone?
The InChIKey is ZQPUCCINLNFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-11(19)13-3-5-15-9-16-6-4-14(12(2)20)8-18(16)10-17(15)7-13/h3-10H,1-2H3.
What are the key properties of 1-(7-acetylanthracen-2-yl)ethanone?
1-(7-acetylanthracen-2-yl)ethanone has a molecular weight of 262.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetylanthracen-2-yl)ethanone is sourced from PubChem (CID 139364083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).