6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one

C23H16O3 — CID 19427220

IUPAC6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
SMILESC=Cc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C23H16O3/c1-2-15-13-14-18-20(19(15)16-9-5-3-6-10-16)21(24)22(25)23(26-18)17-11-7-4-8-12-17/h2-14,25H,1H2
InChIKeyZEUMTFZRMLSYPY-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.48
Rot. Bonds3

About 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one

6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one (PubChem CID 19427220) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one.

Molecular Properties

Compound Name6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
PubChem CID19427220
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
SMILESC=Cc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C23H16O3/c1-2-15-13-14-18-20(19(15)16-9-5-3-6-10-16)21(24)22(25)23(26-18)17-11-7-4-8-12-17/h2-14,25H,1H2
InChIKeyZEUMTFZRMLSYPY-UHFFFAOYSA-N
XLogP5.48
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one?
The IUPAC name of 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one (CID 19427220) is 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one.
What is the SMILES notation for 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one?
The canonical SMILES for 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one is C=Cc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one?
The InChIKey is ZEUMTFZRMLSYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O3/c1-2-15-13-14-18-20(19(15)16-9-5-3-6-10-16)21(24)22(25)23(26-18)17-11-7-4-8-12-17/h2-14,25H,1H2.
What are the key properties of 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one?
6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one has a molecular weight of 340.38 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one is sourced from PubChem (CID 19427220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).