2-acetylbenzo[f]chromen-3-one

C15H10O3 — CID 748172

IUPAC2-acetylbenzo[f]chromen-3-one
SMILESCC(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C15H10O3/c1-9(16)12-8-13-11-5-3-2-4-10(11)6-7-14(13)18-15(12)17/h2-8H,1H3
InChIKeyUAMPJVJAALGMNG-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.15
Rot. Bonds1

About 2-acetylbenzo[f]chromen-3-one

2-acetylbenzo[f]chromen-3-one (PubChem CID 748172) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-acetylbenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-acetylbenzo[f]chromen-3-one
PubChem CID748172
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name2-acetylbenzo[f]chromen-3-one
SMILESCC(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C15H10O3/c1-9(16)12-8-13-11-5-3-2-4-10(11)6-7-14(13)18-15(12)17/h2-8H,1H3
InChIKeyUAMPJVJAALGMNG-UHFFFAOYSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetylbenzo[f]chromen-3-one?
The IUPAC name of 2-acetylbenzo[f]chromen-3-one (CID 748172) is 2-acetylbenzo[f]chromen-3-one.
What is the SMILES notation for 2-acetylbenzo[f]chromen-3-one?
The canonical SMILES for 2-acetylbenzo[f]chromen-3-one is CC(=O)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of 2-acetylbenzo[f]chromen-3-one?
The InChIKey is UAMPJVJAALGMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c1-9(16)12-8-13-11-5-3-2-4-10(11)6-7-14(13)18-15(12)17/h2-8H,1H3.
What are the key properties of 2-acetylbenzo[f]chromen-3-one?
2-acetylbenzo[f]chromen-3-one has a molecular weight of 238.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylbenzo[f]chromen-3-one is sourced from PubChem (CID 748172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).