6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one

C15H14O4 — CID 618370

IUPAC6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3
InChIKeyUOFNVZWWIXXTMZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.99
Rot. Bonds1

About 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one

6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one (PubChem CID 618370) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
PubChem CID618370
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3
InChIKeyUOFNVZWWIXXTMZ-UHFFFAOYSA-N
XLogP2.99
TPSA48.67 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 ≤ 52.99
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 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The IUPAC name of 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one (CID 618370) is 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The canonical SMILES for 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one is COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2.
What is the InChIKey of 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The InChIKey is UOFNVZWWIXXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3.
What are the key properties of 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one has a molecular weight of 258.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 618370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).