(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol

C25H27NO2 — CID 10474509

IUPAC(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
SMILESCNCCOc1ccc(/C(=C(\c2ccccc2)C(C)O)c2ccccc2)cc1
InChIInChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-
InChIKeyGREXPZNIZPCGIV-IZHYLOQSSA-N
MW373.50 g/mol
LogP4.62
Rot. Bonds8

About (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol

(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol (PubChem CID 10474509) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
PubChem CID10474509
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
SMILESCNCCOc1ccc(/C(=C(\c2ccccc2)C(C)O)c2ccccc2)cc1
InChIInChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-
InChIKeyGREXPZNIZPCGIV-IZHYLOQSSA-N
XLogP4.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol (CID 10474509) is (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol is CNCCOc1ccc(/C(=C(\c2ccccc2)C(C)O)c2ccccc2)cc1.
What is the InChIKey of (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol?
The InChIKey is GREXPZNIZPCGIV-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-.
What are the key properties of (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol?
(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol has a molecular weight of 373.50 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 10474509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).