3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol

C31H31NO3 — CID 23132622

IUPAC3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(OCC(O)CO)cc3)cc2)cc1
InChIInChI=1S/C31H31NO3/c1-23-3-13-27(14-4-23)32(28-15-5-24(2)6-16-28)29-17-9-25(10-18-29)7-8-26-11-19-31(20-12-26)35-22-30(34)21-33/h3-20,30,33-34H,21-22H2,1-2H3/b8-7+
InChIKeyDXIUMUODJZNVPS-BQYQJAHWSA-N
MW465.59 g/mol
LogP6.68
Rot. Bonds9

About 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol

3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol (PubChem CID 23132622) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
PubChem CID23132622
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC Name3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(OCC(O)CO)cc3)cc2)cc1
InChIInChI=1S/C31H31NO3/c1-23-3-13-27(14-4-23)32(28-15-5-24(2)6-16-28)29-17-9-25(10-18-29)7-8-26-11-19-31(20-12-26)35-22-30(34)21-33/h3-20,30,33-34H,21-22H2,1-2H3/b8-7+
InChIKeyDXIUMUODJZNVPS-BQYQJAHWSA-N
XLogP6.68
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol 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

3-[4-[N-[4-(2,3-dihydroxypropoxy)phenyl]-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenoxy]propane-1,2-diol
CID 58892559
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]-2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenoxy]propane-1,2-diol
CID 58892575
3-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenoxy]propane-1,2-diol
CID 59739341
3-[4-(N-[4-(2,3-dihydroxypropoxy)phenyl]-4-phenylanilino)phenoxy]propane-1,2-diol
CID 58892567
3-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
CID 59739338
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
3-[4-[4-(2,3-dihydroxypropoxy)-N-naphthalen-2-ylanilino]phenoxy]propane-1,2-diol
CID 59739429
3-[4-[4-(4-methyl-N-pyren-1-ylanilino)phenyl]phenoxy]propane-1,2-diol
CID 59739434
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600737
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
2-ethoxy-1-[4-[2-[4-[4-(2-ethoxy-1-hydroxyethoxy)-N-[4-(2-ethoxy-1-hydroxyethoxy)phenyl]anilino]phenyl]ethenyl]phenoxy]ethanol
CID 89268743

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol (CID 23132622) is 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(OCC(O)CO)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol?
The InChIKey is DXIUMUODJZNVPS-BQYQJAHWSA-N. The full InChI is InChI=1S/C31H31NO3/c1-23-3-13-27(14-4-23)32(28-15-5-24(2)6-16-28)29-17-9-25(10-18-29)7-8-26-11-19-31(20-12-26)35-22-30(34)21-33/h3-20,30,33-34H,21-22H2,1-2H3/b8-7+.
What are the key properties of 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol?
3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol has a molecular weight of 465.59 g/mol, XLogP of 6.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 23132622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).