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

C16H16O4 — CID 171357519

IUPAC6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C16H16O4/c1-4-18-12-9-10-5-6-13(17)19-14(10)11-7-8-16(2,3)20-15(11)12/h5-9H,4H2,1-3H3
InChIKeyNHRKUAXICDASMD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds2

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

6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one (PubChem CID 171357519) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
PubChem CID171357519
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C16H16O4/c1-4-18-12-9-10-5-6-13(17)19-14(10)11-7-8-16(2,3)20-15(11)12/h5-9H,4H2,1-3H3
InChIKeyNHRKUAXICDASMD-UHFFFAOYSA-N
XLogP3.38
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.38
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-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The IUPAC name of 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one (CID 171357519) is 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The canonical SMILES for 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one is CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2.
What is the InChIKey of 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The InChIKey is NHRKUAXICDASMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-4-18-12-9-10-5-6-13(17)19-14(10)11-7-8-16(2,3)20-15(11)12/h5-9H,4H2,1-3H3.
What are the key properties of 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one?
6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one has a molecular weight of 272.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 171357519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).