8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one

C14H12O5 — CID 11334448

IUPAC8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C1OC1C(C)=O
InChIInChI=1S/C14H12O5/c1-7(15)12-14(19-12)11-9(17-2)5-3-8-4-6-10(16)18-13(8)11/h3-6,12,14H,1-2H3
InChIKeyNOUMVRSPEUZAQJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.83
Rot. Bonds3

About 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one

8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one (PubChem CID 11334448) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one
PubChem CID11334448
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C1OC1C(C)=O
InChIInChI=1S/C14H12O5/c1-7(15)12-14(19-12)11-9(17-2)5-3-8-4-6-10(16)18-13(8)11/h3-6,12,14H,1-2H3
InChIKeyNOUMVRSPEUZAQJ-UHFFFAOYSA-N
XLogP1.83
TPSA69.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-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 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one?
The IUPAC name of 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one (CID 11334448) is 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one.
What is the SMILES notation for 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one?
The canonical SMILES for 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one is COc1ccc2ccc(=O)oc2c1C1OC1C(C)=O.
What is the InChIKey of 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one?
The InChIKey is NOUMVRSPEUZAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-7(15)12-14(19-12)11-9(17-2)5-3-8-4-6-10(16)18-13(8)11/h3-6,12,14H,1-2H3.
What are the key properties of 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one?
8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one has a molecular weight of 260.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-acetyloxiran-2-yl)-7-methoxychromen-2-one is sourced from PubChem (CID 11334448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).