4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one

C24H18O4 — CID 54677785

IUPAC4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one
SMILESO=C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C24H18O4/c25-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)22-23(26)18-13-7-8-14-21(18)28-24(22)27/h1-14,19,26H,15H2/t19-/m1/s1
InChIKeyPJKDVDQLFSFEBL-LJQANCHMSA-N
MW370.40 g/mol
LogP4.90
Rot. Bonds5

About 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one

4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one (PubChem CID 54677785) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one
PubChem CID54677785
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one
SMILESO=C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C24H18O4/c25-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)22-23(26)18-13-7-8-14-21(18)28-24(22)27/h1-14,19,26H,15H2/t19-/m1/s1
InChIKeyPJKDVDQLFSFEBL-LJQANCHMSA-N
XLogP4.90
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one (CID 54677785) is 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one is O=C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one?
The InChIKey is PJKDVDQLFSFEBL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H18O4/c25-20(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)22-23(26)18-13-7-8-14-21(18)28-24(22)27/h1-14,19,26H,15H2/t19-/m1/s1.
What are the key properties of 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one?
4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one has a molecular weight of 370.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(1R)-3-oxo-1,3-diphenylpropyl]chromen-2-one is sourced from PubChem (CID 54677785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).