3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol

C26H29NO2 — CID 67671283

IUPAC3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
SMILESCC(=CC(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-20(21-8-5-4-6-9-21)18-26(23-10-7-11-24(28)19-23)22-12-14-25(15-13-22)29-17-16-27(2)3/h4-15,18-19,26,28H,16-17H2,1-3H3
InChIKeyUEEXCJVTZFYYPV-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.57
Rot. Bonds8

About 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol

3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol (PubChem CID 67671283) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol.

Molecular Properties

Compound Name3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
PubChem CID67671283
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
SMILESCC(=CC(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-20(21-8-5-4-6-9-21)18-26(23-10-7-11-24(28)19-23)22-12-14-25(15-13-22)29-17-16-27(2)3/h4-15,18-19,26,28H,16-17H2,1-3H3
InChIKeyUEEXCJVTZFYYPV-UHFFFAOYSA-N
XLogP5.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
CID 123134411
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 11531171
3-[(1R,2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 101392610
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
CID 123847593
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
CID 143961238
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(3-hydroxyphenyl)-3-phenylpent-2-enamide
CID 68732761

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol?
The IUPAC name of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol (CID 67671283) is 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol.
What is the SMILES notation for 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol?
The canonical SMILES for 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol is CC(=CC(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1.
What is the InChIKey of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol?
The InChIKey is UEEXCJVTZFYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-20(21-8-5-4-6-9-21)18-26(23-10-7-11-24(28)19-23)22-12-14-25(15-13-22)29-17-16-27(2)3/h4-15,18-19,26,28H,16-17H2,1-3H3.
What are the key properties of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol?
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol has a molecular weight of 387.52 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol is sourced from PubChem (CID 67671283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).