[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone

C17H19NO3 — CID 3019350

IUPAC[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
SMILESCN(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO3/c1-18(2)10-11-21-14-8-9-15(16(19)12-14)17(20)13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyCUYGFTGATMGGBU-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.56
Rot. Bonds6

About [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone

[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone (PubChem CID 3019350) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
PubChem CID3019350
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
SMILESCN(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO3/c1-18(2)10-11-21-14-8-9-15(16(19)12-14)17(20)13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyCUYGFTGATMGGBU-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
2-(4-benzoyl-3-hydroxyphenoxy)ethyl butanoate
CID 166903614
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
12-(4-benzoyl-3-hydroxyphenoxy)dodecyl-trimethylazanium bromide
CID 163408720

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone (CID 3019350) is [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone is CN(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is CUYGFTGATMGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(2)10-11-21-14-8-9-15(16(19)12-14)17(20)13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone?
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 285.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 3019350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).