3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one

C18H14O4 — CID 87249691

IUPAC3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
SMILESO=c1c(OCC2CO2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H14O4/c19-16-14-8-4-5-9-15(14)22-17(12-6-2-1-3-7-12)18(16)21-11-13-10-20-13/h1-9,13H,10-11H2
InChIKeyISNLHUOQJKAZSC-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.24
Rot. Bonds4

About 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one

3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one (PubChem CID 87249691) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
PubChem CID87249691
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
SMILESO=c1c(OCC2CO2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H14O4/c19-16-14-8-4-5-9-15(14)22-17(12-6-2-1-3-7-12)18(16)21-11-13-10-20-13/h1-9,13H,10-11H2
InChIKeyISNLHUOQJKAZSC-UHFFFAOYSA-N
XLogP3.24
TPSA51.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
The IUPAC name of 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one (CID 87249691) is 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
The canonical SMILES for 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one is O=c1c(OCC2CO2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
The InChIKey is ISNLHUOQJKAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-16-14-8-4-5-9-15(14)22-17(12-6-2-1-3-7-12)18(16)21-11-13-10-20-13/h1-9,13H,10-11H2.
What are the key properties of 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one has a molecular weight of 294.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 87249691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).