2-(4-acetylphenyl)chromen-4-one

C17H12O3 — CID 66553887

IUPAC2-(4-acetylphenyl)chromen-4-one
SMILESCC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H12O3/c1-11(18)12-6-8-13(9-7-12)17-10-15(19)14-4-2-3-5-16(14)20-17/h2-10H,1H3
InChIKeyXWMGKBPKILVQIS-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.66
Rot. Bonds2

About 2-(4-acetylphenyl)chromen-4-one

2-(4-acetylphenyl)chromen-4-one (PubChem CID 66553887) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(4-acetylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-acetylphenyl)chromen-4-one
PubChem CID66553887
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-(4-acetylphenyl)chromen-4-one
SMILESCC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H12O3/c1-11(18)12-6-8-13(9-7-12)17-10-15(19)14-4-2-3-5-16(14)20-17/h2-10H,1H3
InChIKeyXWMGKBPKILVQIS-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)chromen-4-one?
The IUPAC name of 2-(4-acetylphenyl)chromen-4-one (CID 66553887) is 2-(4-acetylphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-acetylphenyl)chromen-4-one?
The canonical SMILES for 2-(4-acetylphenyl)chromen-4-one is CC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)chromen-4-one?
The InChIKey is XWMGKBPKILVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-11(18)12-6-8-13(9-7-12)17-10-15(19)14-4-2-3-5-16(14)20-17/h2-10H,1H3.
What are the key properties of 2-(4-acetylphenyl)chromen-4-one?
2-(4-acetylphenyl)chromen-4-one has a molecular weight of 264.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)chromen-4-one is sourced from PubChem (CID 66553887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).