3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one

C21H18O6 — CID 88920334

IUPAC3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
SMILESO=c1c(OCC2CO2)c(-c2ccccc2)oc2ccc(OCC3CO3)cc12
InChIInChI=1S/C21H18O6/c22-19-17-8-14(23-9-15-10-24-15)6-7-18(17)27-20(13-4-2-1-3-5-13)21(19)26-12-16-11-25-16/h1-8,15-16H,9-12H2
InChIKeyLEYPZOMMWDUPKD-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.02
Rot. Bonds7

About 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one

3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one (PubChem CID 88920334) has the molecular formula C21H18O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
PubChem CID88920334
Molecular FormulaC21H18O6
Molecular Weight366.37 g/mol
Exact Mass366.11
IUPAC Name3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
SMILESO=c1c(OCC2CO2)c(-c2ccccc2)oc2ccc(OCC3CO3)cc12
InChIInChI=1S/C21H18O6/c22-19-17-8-14(23-9-15-10-24-15)6-7-18(17)27-20(13-4-2-1-3-5-13)21(19)26-12-16-11-25-16/h1-8,15-16H,9-12H2
InChIKeyLEYPZOMMWDUPKD-UHFFFAOYSA-N
XLogP3.02
TPSA73.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
The IUPAC name of 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one (CID 88920334) is 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
The canonical SMILES for 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one is O=c1c(OCC2CO2)c(-c2ccccc2)oc2ccc(OCC3CO3)cc12.
What is the InChIKey of 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
The InChIKey is LEYPZOMMWDUPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O6/c22-19-17-8-14(23-9-15-10-24-15)6-7-18(17)27-20(13-4-2-1-3-5-13)21(19)26-12-16-11-25-16/h1-8,15-16H,9-12H2.
What are the key properties of 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one?
3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one has a molecular weight of 366.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 88920334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).