4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one

C30H22O4 — CID 54684642

IUPAC4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
SMILESO=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H22O4/c31-26(23-17-15-21(16-18-23)20-9-3-1-4-10-20)19-25(22-11-5-2-6-12-22)28-29(32)24-13-7-8-14-27(24)34-30(28)33/h1-18,25,32H,19H2
InChIKeyHPVYZRHYEGVJHM-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.57
Rot. Bonds6

About 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one

4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one (PubChem CID 54684642) has the molecular formula C30H22O4 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
PubChem CID54684642
Molecular FormulaC30H22O4
Molecular Weight446.50 g/mol
Exact Mass446.15
IUPAC Name4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
SMILESO=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H22O4/c31-26(23-17-15-21(16-18-23)20-9-3-1-4-10-20)19-25(22-11-5-2-6-12-22)28-29(32)24-13-7-8-14-27(24)34-30(28)33/h1-18,25,32H,19H2
InChIKeyHPVYZRHYEGVJHM-UHFFFAOYSA-N
XLogP6.57
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-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

3-[(1R)-3-[4-(4-bromophenyl)phenyl]-3-oxo-1-phenylpropyl]-4-hydroxychromen-2-one
CID 54718697
3-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]-4-hydroxychromen-2-one
CID 54706753
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
4-hydroxy-3-[(1S,3R)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
CID 54730049
ethanol;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87573197
sodium;ethanol;bis(4-hydroxy-3-(3-oxo-1-phenylpentyl)chromen-2-one)
CID 126465817
propyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-phenylpropanoate
CID 87781345
3-[(1R)-1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54704925
3-[1-(4-aminophenyl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54695527
3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
CID 54711496
3-(4-hydroxy-2-oxochromen-3-yl)-3-(4-methoxyphenyl)propanoic acid
CID 54687528
chromen-2-one;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87887550

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one (CID 54684642) is 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one is O=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one?
The InChIKey is HPVYZRHYEGVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O4/c31-26(23-17-15-21(16-18-23)20-9-3-1-4-10-20)19-25(22-11-5-2-6-12-22)28-29(32)24-13-7-8-14-27(24)34-30(28)33/h1-18,25,32H,19H2.
What are the key properties of 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one?
4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one has a molecular weight of 446.50 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one is sourced from PubChem (CID 54684642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).