1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol

C26H29NO2 — CID 123847593

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
SMILESCN(C)CCOc1ccc(C(O)C=C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-27(2)17-18-29-25-15-13-23(14-16-25)26(28)20-24(22-11-7-4-8-12-22)19-21-9-5-3-6-10-21/h3-16,20,26,28H,17-19H2,1-2H3
InChIKeyWICXPVSNIBHTNX-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.99
Rot. Bonds9

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol

1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol (PubChem CID 123847593) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
PubChem CID123847593
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
SMILESCN(C)CCOc1ccc(C(O)C=C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-27(2)17-18-29-25-15-13-23(14-16-25)26(28)20-24(22-11-7-4-8-12-22)19-21-9-5-3-6-10-21/h3-16,20,26,28H,17-19H2,1-2H3
InChIKeyWICXPVSNIBHTNX-UHFFFAOYSA-N
XLogP4.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
CID 143961238
4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 57100920
2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
(E,2S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
CID 24834606
N,N-dimethyl-2-[4-[(Z)-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]ethanamine
CID 67771766
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
CID 67671283
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
CID 123134411
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 11531171

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol (CID 123847593) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol is CN(C)CCOc1ccc(C(O)C=C(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol?
The InChIKey is WICXPVSNIBHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-27(2)17-18-29-25-15-13-23(14-16-25)26(28)20-24(22-11-7-4-8-12-22)19-21-9-5-3-6-10-21/h3-16,20,26,28H,17-19H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol?
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol has a molecular weight of 387.52 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol is sourced from PubChem (CID 123847593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).