9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one

C15H12O5 — CID 162888730

IUPAC9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one
SMILESCC1(C)O[C@H]1Oc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C15H12O5/c1-15(2)14(20-15)19-13-11-9(5-6-17-11)7-8-3-4-10(16)18-12(8)13/h3-7,14H,1-2H3/t14-/m1/s1
InChIKeySRSMIPIWBAUBCJ-CQSZACIVSA-N
MW272.26 g/mol
LogP3.05
Rot. Bonds2

About 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one

9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one (PubChem CID 162888730) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one
PubChem CID162888730
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one
SMILESCC1(C)O[C@H]1Oc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C15H12O5/c1-15(2)14(20-15)19-13-11-9(5-6-17-11)7-8-3-4-10(16)18-12(8)13/h3-7,14H,1-2H3/t14-/m1/s1
InChIKeySRSMIPIWBAUBCJ-CQSZACIVSA-N
XLogP3.05
TPSA65.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one (CID 162888730) is 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one is CC1(C)O[C@H]1Oc1c2occc2cc2ccc(=O)oc12.
What is the InChIKey of 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one?
The InChIKey is SRSMIPIWBAUBCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12O5/c1-15(2)14(20-15)19-13-11-9(5-6-17-11)7-8-3-4-10(16)18-12(8)13/h3-7,14H,1-2H3/t14-/m1/s1.
What are the key properties of 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one?
9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one has a molecular weight of 272.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 162888730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).