6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one

C19H19NO3 — CID 14982949

IUPAC6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
SMILESCN(C)CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C19H19NO3/c1-20(2)10-11-22-15-8-9-18-16(12-15)17(21)13-19(23-18)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWTEHNPYGYVPIBD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds5

About 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one

6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one (PubChem CID 14982949) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
PubChem CID14982949
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
SMILESCN(C)CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C19H19NO3/c1-20(2)10-11-22-15-8-9-18-16(12-15)17(21)13-19(23-18)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWTEHNPYGYVPIBD-UHFFFAOYSA-N
XLogP3.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
2-[2-(dimethylamino)ethoxy]ethanol;2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]chromen-4-one;methane
CID 161225151
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145
2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
CID 44590881
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one (CID 14982949) is 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one is CN(C)CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one?
The InChIKey is WTEHNPYGYVPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20(2)10-11-22-15-8-9-18-16(12-15)17(21)13-19(23-18)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one?
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one has a molecular weight of 309.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).