7-hydroxy-3,4-diphenylchromen-2-one

C21H14O3 — CID 5393175

IUPAC7-hydroxy-3,4-diphenylchromen-2-one
SMILESO=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(23)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H
InChIKeyAABUKWVVUWBZCS-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.83
Rot. Bonds2

About 7-hydroxy-3,4-diphenylchromen-2-one

7-hydroxy-3,4-diphenylchromen-2-one (PubChem CID 5393175) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 7-hydroxy-3,4-diphenylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3,4-diphenylchromen-2-one
PubChem CID5393175
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name7-hydroxy-3,4-diphenylchromen-2-one
SMILESO=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(23)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H
InChIKeyAABUKWVVUWBZCS-UHFFFAOYSA-N
XLogP4.83
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-diphenylchromen-2-one?
The IUPAC name of 7-hydroxy-3,4-diphenylchromen-2-one (CID 5393175) is 7-hydroxy-3,4-diphenylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3,4-diphenylchromen-2-one?
The canonical SMILES for 7-hydroxy-3,4-diphenylchromen-2-one is O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-3,4-diphenylchromen-2-one?
The InChIKey is AABUKWVVUWBZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(23)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H.
What are the key properties of 7-hydroxy-3,4-diphenylchromen-2-one?
7-hydroxy-3,4-diphenylchromen-2-one has a molecular weight of 314.34 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-diphenylchromen-2-one is sourced from PubChem (CID 5393175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).