3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one

C24H20O3 — CID 54711496

IUPAC3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O3/c25-23-20-13-7-8-14-21(20)27-24(26)22(23)19(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-14,19,25H,15-16H2
InChIKeyRQKMHMADILDMKY-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.26
Rot. Bonds5

About 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one

3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one (PubChem CID 54711496) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
PubChem CID54711496
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O3/c25-23-20-13-7-8-14-21(20)27-24(26)22(23)19(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-14,19,25H,15-16H2
InChIKeyRQKMHMADILDMKY-UHFFFAOYSA-N
XLogP5.26
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-diphenylpropyl)-4-hydroxychromen-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-[1-(4-ethylphenyl)butyl]-4-hydroxychromen-2-one
CID 54724918
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
ethanol;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87573197
N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide
CID 165351053
4-hydroxy-3-[(1S,3R)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
CID 54730049
3-[1-[4-(4-bromophenyl)phenyl]butyl]-4-hydroxychromen-2-one
CID 56998907
4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
CID 54684642
3-[1-[4-(4-bromophenyl)phenyl]pentyl]-4-hydroxychromen-2-one
CID 57291068
propyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-phenylpropanoate
CID 87781345
3-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]-4-hydroxychromen-2-one
CID 54706753
4-hydroxy-3-(1-phenylpropyl)chromen-2-one;2-phenylindene-1,3-dione
CID 87581664

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one?
The IUPAC name of 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one (CID 54711496) is 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one.
What is the SMILES notation for 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one?
The canonical SMILES for 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one is O=c1oc2ccccc2c(O)c1C(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one?
The InChIKey is RQKMHMADILDMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c25-23-20-13-7-8-14-21(20)27-24(26)22(23)19(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-14,19,25H,15-16H2.
What are the key properties of 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one?
3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one has a molecular weight of 356.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one is sourced from PubChem (CID 54711496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).