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

C18H21NO4 — CID 155552023

IUPAC6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCN(C)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C18H21NO4/c1-18(2)8-7-13-16-12(5-6-15(20)22-16)11-14(17(13)23-18)21-10-9-19(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyMZLOSGDEZOYGJJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.92
Rot. Bonds4

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

6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one (PubChem CID 155552023) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
PubChem CID155552023
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one
SMILESCN(C)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChIInChI=1S/C18H21NO4/c1-18(2)8-7-13-16-12(5-6-15(20)22-16)11-14(17(13)23-18)21-10-9-19(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyMZLOSGDEZOYGJJ-UHFFFAOYSA-N
XLogP2.92
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.92
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-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one (CID 155552023) is 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one is CN(C)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
The InChIKey is MZLOSGDEZOYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-18(2)8-7-13-16-12(5-6-15(20)22-16)11-14(17(13)23-18)21-10-9-19(3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one?
6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-8,8-dimethylpyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 155552023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).