1-(10-acetylanthracen-9-yl)ethanone

C18H14O2 — CID 12739255

IUPAC1-(10-acetylanthracen-9-yl)ethanone
SMILESCC(=O)c1c2ccccc2c(C(C)=O)c2ccccc12
InChIInChI=1S/C18H14O2/c1-11(19)17-13-7-3-5-9-15(13)18(12(2)20)16-10-6-4-8-14(16)17/h3-10H,1-2H3
InChIKeyJBCVRTMLHPWTJI-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.40
Rot. Bonds2

About 1-(10-acetylanthracen-9-yl)ethanone

1-(10-acetylanthracen-9-yl)ethanone (PubChem CID 12739255) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(10-acetylanthracen-9-yl)ethanone.

Molecular Properties

Compound Name1-(10-acetylanthracen-9-yl)ethanone
PubChem CID12739255
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1-(10-acetylanthracen-9-yl)ethanone
SMILESCC(=O)c1c2ccccc2c(C(C)=O)c2ccccc12
InChIInChI=1S/C18H14O2/c1-11(19)17-13-7-3-5-9-15(13)18(12(2)20)16-10-6-4-8-14(16)17/h3-10H,1-2H3
InChIKeyJBCVRTMLHPWTJI-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(10-acetylanthracen-9-yl)ethanone?
The IUPAC name of 1-(10-acetylanthracen-9-yl)ethanone (CID 12739255) is 1-(10-acetylanthracen-9-yl)ethanone.
What is the SMILES notation for 1-(10-acetylanthracen-9-yl)ethanone?
The canonical SMILES for 1-(10-acetylanthracen-9-yl)ethanone is CC(=O)c1c2ccccc2c(C(C)=O)c2ccccc12.
What is the InChIKey of 1-(10-acetylanthracen-9-yl)ethanone?
The InChIKey is JBCVRTMLHPWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-11(19)17-13-7-3-5-9-15(13)18(12(2)20)16-10-6-4-8-14(16)17/h3-10H,1-2H3.
What are the key properties of 1-(10-acetylanthracen-9-yl)ethanone?
1-(10-acetylanthracen-9-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-(10-acetylanthracen-9-yl)ethanone is sourced from PubChem (CID 12739255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).