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

C26H29NO2 — CID 57100920

IUPAC4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCN(C)CCOc1ccc(CCC(=Cc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-27(2)18-19-29-26-16-11-21(12-17-26)8-13-24(23-6-4-3-5-7-23)20-22-9-14-25(28)15-10-22/h3-7,9-12,14-17,20,28H,8,13,18-19H2,1-2H3
InChIKeyVTMVENLRDVIDRD-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.51
Rot. Bonds9

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

4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 57100920) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID57100920
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCN(C)CCOc1ccc(CCC(=Cc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-27(2)18-19-29-26-16-11-21(12-17-26)8-13-24(23-6-4-3-5-7-23)20-22-9-14-25(28)15-10-22/h3-7,9-12,14-17,20,28H,8,13,18-19H2,1-2H3
InChIKeyVTMVENLRDVIDRD-UHFFFAOYSA-N
XLogP5.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol
CID 69327181
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
4-[2-phenyl-4-[4-[5-(pyridin-2-ylmethylsulfonyl)pentoxy]phenyl]but-1-enyl]phenol
CID 69304952
1-(5-chloropentoxy)-4-[4-(4-iodophenyl)-3-phenylbut-3-enyl]benzene
CID 67652269
1-iodo-4-[4-[4-(5-iodopentoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 67653537
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
CID 123847593
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride
CID 142413498
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 57100920) is 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is CN(C)CCOc1ccc(CCC(=Cc2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is VTMVENLRDVIDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-27(2)18-19-29-26-16-11-21(12-17-26)8-13-24(23-6-4-3-5-7-23)20-22-9-14-25(28)15-10-22/h3-7,9-12,14-17,20,28H,8,13,18-19H2,1-2H3.
What are the key properties of 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 387.52 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 57100920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).