3-(4-acetylphenyl)-7-hydroxychromen-4-one

C17H12O4 — CID 71506237

IUPAC3-(4-acetylphenyl)-7-hydroxychromen-4-one
SMILESCC(=O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H12O4/c1-10(18)11-2-4-12(5-3-11)15-9-21-16-8-13(19)6-7-14(16)17(15)20/h2-9,19H,1H3
InChIKeyDDWHVCULJCSISR-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.37
Rot. Bonds2

About 3-(4-acetylphenyl)-7-hydroxychromen-4-one

3-(4-acetylphenyl)-7-hydroxychromen-4-one (PubChem CID 71506237) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)-7-hydroxychromen-4-one
PubChem CID71506237
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name3-(4-acetylphenyl)-7-hydroxychromen-4-one
SMILESCC(=O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H12O4/c1-10(18)11-2-4-12(5-3-11)15-9-21-16-8-13(19)6-7-14(16)17(15)20/h2-9,19H,1H3
InChIKeyDDWHVCULJCSISR-UHFFFAOYSA-N
XLogP3.37
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-acetylphenyl)-7-hydroxychromen-4-one 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

4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
4-(7-hydroxy-4-oxochromen-3-yl)-2-propan-2-ylbenzenesulfonic acid
CID 10872107
7-hydroxy-3-methylchromen-4-one
CID 13419593
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one
CID 5397271
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205
7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
CID 58402386

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(4-acetylphenyl)-7-hydroxychromen-4-one (CID 71506237) is 3-(4-acetylphenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(4-acetylphenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(4-acetylphenyl)-7-hydroxychromen-4-one is CC(=O)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-7-hydroxychromen-4-one?
The InChIKey is DDWHVCULJCSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-10(18)11-2-4-12(5-3-11)15-9-21-16-8-13(19)6-7-14(16)17(15)20/h2-9,19H,1H3.
What are the key properties of 3-(4-acetylphenyl)-7-hydroxychromen-4-one?
3-(4-acetylphenyl)-7-hydroxychromen-4-one has a molecular weight of 280.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 71506237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).