2,3,4-tris(2-phenylbut-1-enyl)phenol

C36H36O — CID 126505513

IUPAC2,3,4-tris(2-phenylbut-1-enyl)phenol
SMILESCCC(=Cc1ccc(O)c(C=C(CC)c2ccccc2)c1C=C(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O/c1-4-27(30-16-10-7-11-17-30)24-33-22-23-36(37)35(26-29(6-3)32-20-14-9-15-21-32)34(33)25-28(5-2)31-18-12-8-13-19-31/h7-26,37H,4-6H2,1-3H3
InChIKeyPHXGMQLMOGTVOL-UHFFFAOYSA-N
MW484.68 g/mol
LogP10.24
Rot. Bonds9

About 2,3,4-tris(2-phenylbut-1-enyl)phenol

2,3,4-tris(2-phenylbut-1-enyl)phenol (PubChem CID 126505513) has the molecular formula C36H36O and a molecular weight of 484.68 g/mol. Its IUPAC name is 2,3,4-tris(2-phenylbut-1-enyl)phenol.

Molecular Properties

Compound Name2,3,4-tris(2-phenylbut-1-enyl)phenol
PubChem CID126505513
Molecular FormulaC36H36O
Molecular Weight484.68 g/mol
Exact Mass484.28
IUPAC Name2,3,4-tris(2-phenylbut-1-enyl)phenol
SMILESCCC(=Cc1ccc(O)c(C=C(CC)c2ccccc2)c1C=C(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36O/c1-4-27(30-16-10-7-11-17-30)24-33-22-23-36(37)35(26-29(6-3)32-20-14-9-15-21-32)34(33)25-28(5-2)31-18-12-8-13-19-31/h7-26,37H,4-6H2,1-3H3
InChIKeyPHXGMQLMOGTVOL-UHFFFAOYSA-N
XLogP10.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4-tris(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

Related Compounds

2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
1-fluorobut-1-en-2-ylbenzene
CID 67823152
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
2-[(E)-2-(2-hydroxyphenyl)but-1-enyl]phenol
CID 67778845
[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
CID 155725923
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
CID 102446167

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(2-phenylbut-1-enyl)phenol?
The IUPAC name of 2,3,4-tris(2-phenylbut-1-enyl)phenol (CID 126505513) is 2,3,4-tris(2-phenylbut-1-enyl)phenol.
What is the SMILES notation for 2,3,4-tris(2-phenylbut-1-enyl)phenol?
The canonical SMILES for 2,3,4-tris(2-phenylbut-1-enyl)phenol is CCC(=Cc1ccc(O)c(C=C(CC)c2ccccc2)c1C=C(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,4-tris(2-phenylbut-1-enyl)phenol?
The InChIKey is PHXGMQLMOGTVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O/c1-4-27(30-16-10-7-11-17-30)24-33-22-23-36(37)35(26-29(6-3)32-20-14-9-15-21-32)34(33)25-28(5-2)31-18-12-8-13-19-31/h7-26,37H,4-6H2,1-3H3.
What are the key properties of 2,3,4-tris(2-phenylbut-1-enyl)phenol?
2,3,4-tris(2-phenylbut-1-enyl)phenol has a molecular weight of 484.68 g/mol, XLogP of 10.24, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(2-phenylbut-1-enyl)phenol is sourced from PubChem (CID 126505513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).