2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol

C22H23NO4 — CID 162666144

IUPAC2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol
SMILESCOc1cc(Oc2cccc(Nc3ccccc3)c2)cc(OC)c1CCO
InChIInChI=1S/C22H23NO4/c1-25-21-14-19(15-22(26-2)20(21)11-12-24)27-18-10-6-9-17(13-18)23-16-7-4-3-5-8-16/h3-10,13-15,23-24H,11-12H2,1-2H3
InChIKeyWVPKMBSUELOMRN-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.77
Rot. Bonds8

About 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol

2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol (PubChem CID 162666144) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol
PubChem CID162666144
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol
SMILESCOc1cc(Oc2cccc(Nc3ccccc3)c2)cc(OC)c1CCO
InChIInChI=1S/C22H23NO4/c1-25-21-14-19(15-22(26-2)20(21)11-12-24)27-18-10-6-9-17(13-18)23-16-7-4-3-5-8-16/h3-10,13-15,23-24H,11-12H2,1-2H3
InChIKeyWVPKMBSUELOMRN-UHFFFAOYSA-N
XLogP4.77
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(3,4-Dimethyl-2-oxochromen-7-yl)oxybutoxy]-5-hydroxyphenyl]-trimethylazanium iodide
CID 44578510
5-[4-(Dimethylamino)phenyl]-5,11-dihydrochromeno[4,3-c]chromene-2,8-diol
CID 21959296
4-[1-Hydroxy-2-[2-[4-(3-methoxyanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
CID 59119455
7-(3-(3-(dimethylamino)-5-hydroxyphenoxy)propoxy)-3,4-dimethyl-2H-chromen-2-one
CID 44578442
7-(4-(3-(dimethylamino)-5-hydroxyphenoxy)butoxy)-3,4-dimethyl-2H-chromen-2-one
CID 44578443
2-hydroxy-N-[5-methoxy-2-[1-(5-methoxy-2,2-dimethylchromen-8-yl)ethenyl]phenyl]acetamide
CID 147774985
3-[3,5-dimethoxy-4-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]-N-phenylaniline
CID 162643553
3-[3,5-dimethoxy-4-[[3-(4-methoxyphenyl)propylamino]methyl]phenoxy]-N-phenylaniline
CID 162675423
5,7-dimethoxy-3-(4-phenylmethoxyphenyl)-1H-quinolin-2-one
CID 9930129
2-[3-[[2,4-Bis[(4-methoxyphenyl)methoxy]phenyl]methylamino]phenoxy]-2-methylpropanoic acid
CID 139501208
2-((4-Cyclohexylanilino)methyl)-5-methoxyphenol
CID 5185189
[2-oxo-2-(3-phenoxyanilino)ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 2388177

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol?
The IUPAC name of 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol (CID 162666144) is 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol?
The canonical SMILES for 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol is COc1cc(Oc2cccc(Nc3ccccc3)c2)cc(OC)c1CCO.
What is the InChIKey of 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol?
The InChIKey is WVPKMBSUELOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-21-14-19(15-22(26-2)20(21)11-12-24)27-18-10-6-9-17(13-18)23-16-7-4-3-5-8-16/h3-10,13-15,23-24H,11-12H2,1-2H3.
What are the key properties of 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol?
2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol has a molecular weight of 365.43 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-anilinophenoxy)-2,6-dimethoxyphenyl]ethanol is sourced from PubChem (CID 162666144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).