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

C20H25NO4 — CID 155531492

IUPAC6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCCN(CC)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C20H25NO4/c1-5-21(6-2)11-12-23-16-13-14-7-8-17(22)24-18(14)15-9-10-20(3,4)25-19(15)16/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyYPQDAJZSKCQZBI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.70
Rot. Bonds6

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

6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one (PubChem CID 155531492) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
PubChem CID155531492
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCCN(CC)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C20H25NO4/c1-5-21(6-2)11-12-23-16-13-14-7-8-17(22)24-18(14)15-9-10-20(3,4)25-19(15)16/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyYPQDAJZSKCQZBI-UHFFFAOYSA-N
XLogP3.70
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one (CID 155531492) is 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one is CCN(CC)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The InChIKey is YPQDAJZSKCQZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-21(6-2)11-12-23-16-13-14-7-8-17(22)24-18(14)15-9-10-20(3,4)25-19(15)16/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one has a molecular weight of 343.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 155531492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).