4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol

C23H24BrNO3 — CID 152756968

IUPAC4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol
SMILESCN(C)CCOc1ccc(C(O)c2cccc(Br)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H24BrNO3/c1-25(2)14-15-28-19-12-8-17(9-13-19)23(27)20-4-3-5-21(24)22(20)16-6-10-18(26)11-7-16/h3-13,23,26-27H,14-15H2,1-2H3
InChIKeyUXSDKEBTAPIREU-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.84
Rot. Bonds7

About 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol

4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol (PubChem CID 152756968) has the molecular formula C23H24BrNO3 and a molecular weight of 442.35 g/mol. Its IUPAC name is 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol
PubChem CID152756968
Molecular FormulaC23H24BrNO3
Molecular Weight442.35 g/mol
Exact Mass441.09
IUPAC Name4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol
SMILESCN(C)CCOc1ccc(C(O)c2cccc(Br)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H24BrNO3/c1-25(2)14-15-28-19-12-8-17(9-13-19)23(27)20-4-3-5-21(24)22(20)16-6-10-18(26)11-7-16/h3-13,23,26-27H,14-15H2,1-2H3
InChIKeyUXSDKEBTAPIREU-UHFFFAOYSA-N
XLogP4.84
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-4-[[4-[3-(dimethylamino)propoxy]phenyl]-hydroxymethyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 70857731
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-dihydroxybutanenitrile
CID 171901898
2-[3-bromo-5-(hydroxymethyl)-2-(4-hydroxyphenyl)phenyl]-4-[2-(dimethylamino)ethoxy]benzaldehyde
CID 90755566
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
CID 123134411
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol;hydrochloride
CID 67944530
3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanenitrile
CID 171871163
2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
CID 57052258
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]but-1-enyl]phenol
CID 18988705
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
CID 123847593
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol?
The IUPAC name of 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol (CID 152756968) is 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol.
What is the SMILES notation for 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol?
The canonical SMILES for 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol is CN(C)CCOc1ccc(C(O)c2cccc(Br)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol?
The InChIKey is UXSDKEBTAPIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO3/c1-25(2)14-15-28-19-12-8-17(9-13-19)23(27)20-4-3-5-21(24)22(20)16-6-10-18(26)11-7-16/h3-13,23,26-27H,14-15H2,1-2H3.
What are the key properties of 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol?
4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol has a molecular weight of 442.35 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-6-[[4-[2-(dimethylamino)ethoxy]phenyl]-hydroxymethyl]phenyl]phenol is sourced from PubChem (CID 152756968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).