7-(diethylamino)-6-phenylchromen-2-one

C19H19NO2 — CID 56589543

IUPAC7-(diethylamino)-6-phenylchromen-2-one
SMILESCCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyDPOBPPOQOUIOGG-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.31
Rot. Bonds4

About 7-(diethylamino)-6-phenylchromen-2-one

7-(diethylamino)-6-phenylchromen-2-one (PubChem CID 56589543) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(diethylamino)-6-phenylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-6-phenylchromen-2-one
PubChem CID56589543
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name7-(diethylamino)-6-phenylchromen-2-one
SMILESCCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyDPOBPPOQOUIOGG-UHFFFAOYSA-N
XLogP4.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-6-phenylchromen-2-one?
The IUPAC name of 7-(diethylamino)-6-phenylchromen-2-one (CID 56589543) is 7-(diethylamino)-6-phenylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-6-phenylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-6-phenylchromen-2-one is CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1.
What is the InChIKey of 7-(diethylamino)-6-phenylchromen-2-one?
The InChIKey is DPOBPPOQOUIOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-6-phenylchromen-2-one?
7-(diethylamino)-6-phenylchromen-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-6-phenylchromen-2-one is sourced from PubChem (CID 56589543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).