7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one

C20H21NO3 — CID 11912

IUPAC7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H21NO3/c1-21(2)11-6-12-23-16-9-10-17-18(22)14-19(24-20(17)13-16)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3
InChIKeyGTYLAXADLIHMMY-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.79
Rot. Bonds6

About 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one

7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one (PubChem CID 11912) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one
PubChem CID11912
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H21NO3/c1-21(2)11-6-12-23-16-9-10-17-18(22)14-19(24-20(17)13-16)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3
InChIKeyGTYLAXADLIHMMY-UHFFFAOYSA-N
XLogP3.79
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one (CID 11912) is 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one is CN(C)CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one?
The InChIKey is GTYLAXADLIHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21(2)11-6-12-23-16-9-10-17-18(22)14-19(24-20(17)13-16)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3.
What are the key properties of 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one?
7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one has a molecular weight of 323.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 11912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).