2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one

C19H19NO3 — CID 59086251

IUPAC2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
SMILESCN(C)CCOc1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C19H19NO3/c1-20(2)10-11-22-15-7-5-6-14(12-15)19-13-17(21)16-8-3-4-9-18(16)23-19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyPXXMVHHXMBSQSC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds5

About 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one

2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one (PubChem CID 59086251) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
PubChem CID59086251
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
SMILESCN(C)CCOc1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C19H19NO3/c1-20(2)10-11-22-15-7-5-6-14(12-15)19-13-17(21)16-8-3-4-9-18(16)23-19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyPXXMVHHXMBSQSC-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

6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
2-[2-(dimethylamino)ethoxy]ethanol;2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]chromen-4-one;methane
CID 161225151
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
CID 156795758
2-phenylchromen-4-one
CID 90124083
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
CID 118987389
copper;2-phenylchromen-4-one
CID 175169427
N,N-bis[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]methanesulfonamide
CID 54578900
6-(dimethylamino)-2-(3-methoxyphenyl)chromen-4-one
CID 23001746
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one?
The IUPAC name of 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one (CID 59086251) is 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one.
What is the SMILES notation for 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one?
The canonical SMILES for 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one is CN(C)CCOc1cccc(-c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one?
The InChIKey is PXXMVHHXMBSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20(2)10-11-22-15-7-5-6-14(12-15)19-13-17(21)16-8-3-4-9-18(16)23-19/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one?
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-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 2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one is sourced from PubChem (CID 59086251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).