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

C24H25NO2 — CID 70354859

IUPAC4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3
InChIKeyYCQBLTPGQSYLHD-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.10
Rot. Bonds7

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

4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 70354859) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID70354859
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3
InChIKeyYCQBLTPGQSYLHD-UHFFFAOYSA-N
XLogP5.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol 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 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol (CID 70354859) is 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1.
What is the InChIKey of 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is YCQBLTPGQSYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3.
What are the key properties of 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol?
4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 359.47 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 70354859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).