1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene

C25H25I — CID 167478772

IUPAC1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
SMILESCC/C(=C(\c1ccc(I)cc1)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H25I/c1-4-24(20-8-6-5-7-9-20)25(22-14-16-23(26)17-15-22)21-12-10-19(11-13-21)18(2)3/h5-18H,4H2,1-3H3/b25-24+
InChIKeyVJKCFJQZJNGHLH-OCOZRVBESA-N
MW452.38 g/mol
LogP7.78
Rot. Bonds5

About 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene

1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene (PubChem CID 167478772) has the molecular formula C25H25I and a molecular weight of 452.38 g/mol. Its IUPAC name is 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
PubChem CID167478772
Molecular FormulaC25H25I
Molecular Weight452.38 g/mol
Exact Mass452.10
IUPAC Name1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
SMILESCC/C(=C(\c1ccc(I)cc1)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H25I/c1-4-24(20-8-6-5-7-9-20)25(22-14-16-23(26)17-15-22)21-12-10-19(11-13-21)18(2)3/h5-18H,4H2,1-3H3/b25-24+
InChIKeyVJKCFJQZJNGHLH-OCOZRVBESA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.38
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide
CID 67590855
1-[3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
CID 67686022
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
1-[2-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-1-oxidopyrrolidin-1-ium
CID 87912681
N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127048581
1-[9-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]nonyl]pyrrolidine
CID 10699116
(E)-N,N-dimethyl-4-[2-[4-[(Z)-1-phenyl-2-(4-propan-2-ylphenyl)but-1-enyl]phenoxy]ethylamino]but-2-enamide
CID 145199754

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene?
The IUPAC name of 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene (CID 167478772) is 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene?
The canonical SMILES for 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene is CC/C(=C(\c1ccc(I)cc1)c1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene?
The InChIKey is VJKCFJQZJNGHLH-OCOZRVBESA-N. The full InChI is InChI=1S/C25H25I/c1-4-24(20-8-6-5-7-9-20)25(22-14-16-23(26)17-15-22)21-12-10-19(11-13-21)18(2)3/h5-18H,4H2,1-3H3/b25-24+.
What are the key properties of 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene?
1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene has a molecular weight of 452.38 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 167478772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).