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

C18H14O4 — CID 174682179

IUPAC2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)c(OCC2CO2)oc2ccccc12
InChIInChI=1S/C18H14O4/c19-17-14-8-4-5-9-15(14)22-18(21-11-13-10-20-13)16(17)12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyIIRXABLWLCPUEQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.24
Rot. Bonds4

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

2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one (PubChem CID 174682179) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one
PubChem CID174682179
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)c(OCC2CO2)oc2ccccc12
InChIInChI=1S/C18H14O4/c19-17-14-8-4-5-9-15(14)22-18(21-11-13-10-20-13)16(17)12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyIIRXABLWLCPUEQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one (CID 174682179) is 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one is O=c1c(-c2ccccc2)c(OCC2CO2)oc2ccccc12.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one?
The InChIKey is IIRXABLWLCPUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-17-14-8-4-5-9-15(14)22-18(21-11-13-10-20-13)16(17)12-6-2-1-3-7-12/h1-9,13H,10-11H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one?
2-(oxiran-2-ylmethoxy)-3-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 2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one is sourced from PubChem (CID 174682179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).