9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one

C15H14O4 — CID 10106552

IUPAC9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
SMILESCOc1c2oc(=O)cc(C)c2cc2c(C)c(C)oc12
InChIInChI=1S/C15H14O4/c1-7-5-12(16)19-13-10(7)6-11-8(2)9(3)18-14(11)15(13)17-4/h5-6H,1-4H3
InChIKeyYWMWORNYBWXECR-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.47
Rot. Bonds1

About 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one

9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 10106552) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
PubChem CID10106552
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
SMILESCOc1c2oc(=O)cc(C)c2cc2c(C)c(C)oc12
InChIInChI=1S/C15H14O4/c1-7-5-12(16)19-13-10(7)6-11-8(2)9(3)18-14(11)15(13)17-4/h5-6H,1-4H3
InChIKeyYWMWORNYBWXECR-UHFFFAOYSA-N
XLogP3.47
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one (CID 10106552) is 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one is COc1c2oc(=O)cc(C)c2cc2c(C)c(C)oc12.
What is the InChIKey of 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is YWMWORNYBWXECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-7-5-12(16)19-13-10(7)6-11-8(2)9(3)18-14(11)15(13)17-4/h5-6H,1-4H3.
What are the key properties of 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one?
9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 258.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 10106552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).