7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one

C18H16O4 — CID 11000941

IUPAC7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one
SMILESCC(C)Oc1ccc2c(c1)OC1OC1(c1ccccc1)C2=O
InChIInChI=1S/C18H16O4/c1-11(2)20-13-8-9-14-15(10-13)21-17-18(22-17,16(14)19)12-6-4-3-5-7-12/h3-11,17H,1-2H3
InChIKeyZEYMZSYCYVAAKE-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.30
Rot. Bonds3

About 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one

7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one (PubChem CID 11000941) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one.

Molecular Properties

Compound Name7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one
PubChem CID11000941
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one
SMILESCC(C)Oc1ccc2c(c1)OC1OC1(c1ccccc1)C2=O
InChIInChI=1S/C18H16O4/c1-11(2)20-13-8-9-14-15(10-13)21-17-18(22-17,16(14)19)12-6-4-3-5-7-12/h3-11,17H,1-2H3
InChIKeyZEYMZSYCYVAAKE-UHFFFAOYSA-N
XLogP3.30
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.30
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 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one?
The IUPAC name of 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one (CID 11000941) is 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one.
What is the SMILES notation for 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one?
The canonical SMILES for 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one is CC(C)Oc1ccc2c(c1)OC1OC1(c1ccccc1)C2=O.
What is the InChIKey of 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one?
The InChIKey is ZEYMZSYCYVAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11(2)20-13-8-9-14-15(10-13)21-17-18(22-17,16(14)19)12-6-4-3-5-7-12/h3-11,17H,1-2H3.
What are the key properties of 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one?
7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one has a molecular weight of 296.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one is sourced from PubChem (CID 11000941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).