4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol

C30H35NO3 — CID 171935752

IUPAC4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
SMILESCOc1ccc(/C(C)=C(\c2ccc(O)cc2)c2ccc(OCCN3CCCCCC3)cc2)cc1
InChIInChI=1S/C30H35NO3/c1-23(24-9-15-28(33-2)16-10-24)30(25-7-13-27(32)14-8-25)26-11-17-29(18-12-26)34-22-21-31-19-5-3-4-6-20-31/h7-18,32H,3-6,19-22H2,1-2H3/b30-23+
InChIKeyRAYMETVNRDYIMR-JJKYIXSRSA-N
MW457.61 g/mol
LogP6.63
Rot. Bonds8

About 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol

4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol (PubChem CID 171935752) has the molecular formula C30H35NO3 and a molecular weight of 457.61 g/mol. Its IUPAC name is 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
PubChem CID171935752
Molecular FormulaC30H35NO3
Molecular Weight457.61 g/mol
Exact Mass457.26
IUPAC Name4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
SMILESCOc1ccc(/C(C)=C(\c2ccc(O)cc2)c2ccc(OCCN3CCCCCC3)cc2)cc1
InChIInChI=1S/C30H35NO3/c1-23(24-9-15-28(33-2)16-10-24)30(25-7-13-27(32)14-8-25)26-11-17-29(18-12-26)34-22-21-31-19-5-3-4-6-20-31/h7-18,32H,3-6,19-22H2,1-2H3/b30-23+
InChIKeyRAYMETVNRDYIMR-JJKYIXSRSA-N
XLogP6.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.61
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-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

Related Compounds

4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol
CID 155813769
5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol
CID 11784901
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165
[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
CID 155816458
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166628462
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol (CID 171935752) is 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol is COc1ccc(/C(C)=C(\c2ccc(O)cc2)c2ccc(OCCN3CCCCCC3)cc2)cc1.
What is the InChIKey of 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol?
The InChIKey is RAYMETVNRDYIMR-JJKYIXSRSA-N. The full InChI is InChI=1S/C30H35NO3/c1-23(24-9-15-28(33-2)16-10-24)30(25-7-13-27(32)14-8-25)26-11-17-29(18-12-26)34-22-21-31-19-5-3-4-6-20-31/h7-18,32H,3-6,19-22H2,1-2H3/b30-23+.
What are the key properties of 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol?
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol has a molecular weight of 457.61 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 171935752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).