3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol

C25H26O3 — CID 70549561

IUPAC3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol
SMILESCC/C(=C(\c1ccccc1)c1ccccc1OCC(O)CO)c1ccccc1
InChIInChI=1S/C25H26O3/c1-2-22(19-11-5-3-6-12-19)25(20-13-7-4-8-14-20)23-15-9-10-16-24(23)28-18-21(27)17-26/h3-16,21,26-27H,2,17-18H2,1H3/b25-22-
InChIKeyCYPIWUCAYBYNNC-LVWGJNHUSA-N
MW374.48 g/mol
LogP4.79
Rot. Bonds8

About 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol

3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol (PubChem CID 70549561) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol
PubChem CID70549561
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol
SMILESCC/C(=C(\c1ccccc1)c1ccccc1OCC(O)CO)c1ccccc1
InChIInChI=1S/C25H26O3/c1-2-22(19-11-5-3-6-12-19)25(20-13-7-4-8-14-20)23-15-9-10-16-24(23)28-18-21(27)17-26/h3-16,21,26-27H,2,17-18H2,1H3/b25-22-
InChIKeyCYPIWUCAYBYNNC-LVWGJNHUSA-N
XLogP4.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[(Z)-1,2-diphenylbut-1-enyl]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-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
2-(2,3-dihydroxypropoxy)benzoic acid;hydrate
CID 141305923
3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 66896080
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
(3S)-3-amino-4-[2-(2,3-dihydroxypropoxy)phenyl]-4-oxobutanoic acid
CID 54086744
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-(methylamino)propan-2-ol
CID 67847195
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 67847126
1-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 67847123
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-(propylamino)propan-2-ol
CID 67846665
4-[(Z)-1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847155

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol (CID 70549561) is 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol is CC/C(=C(\c1ccccc1)c1ccccc1OCC(O)CO)c1ccccc1.
What is the InChIKey of 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol?
The InChIKey is CYPIWUCAYBYNNC-LVWGJNHUSA-N. The full InChI is InChI=1S/C25H26O3/c1-2-22(19-11-5-3-6-12-19)25(20-13-7-4-8-14-20)23-15-9-10-16-24(23)28-18-21(27)17-26/h3-16,21,26-27H,2,17-18H2,1H3/b25-22-.
What are the key properties of 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol?
3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol has a molecular weight of 374.48 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 70549561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).