1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C24H20I2O2 — CID 101211712

IUPAC1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(I)c(/C=C/c3ccc(OC)cc3)cc2I)cc1
InChIInChI=1S/C24H20I2O2/c1-27-21-11-5-17(6-12-21)3-9-19-15-24(26)20(16-23(19)25)10-4-18-7-13-22(28-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+
InChIKeyACLHRNBXNJJNKL-LQIBPGRFSA-N
MW594.23 g/mol
LogP7.25
Rot. Bonds6

About 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 101211712) has the molecular formula C24H20I2O2 and a molecular weight of 594.23 g/mol. Its IUPAC name is 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID101211712
Molecular FormulaC24H20I2O2
Molecular Weight594.23 g/mol
Exact Mass593.96
IUPAC Name1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(I)c(/C=C/c3ccc(OC)cc3)cc2I)cc1
InChIInChI=1S/C24H20I2O2/c1-27-21-11-5-17(6-12-21)3-9-19-15-24(26)20(16-23(19)25)10-4-18-7-13-22(28-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+
InChIKeyACLHRNBXNJJNKL-LQIBPGRFSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.23
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 70182871
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
1-methoxy-4-prop-1-enylbenzene
CID 67322568

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 101211712) is 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2cc(I)c(/C=C/c3ccc(OC)cc3)cc2I)cc1.
What is the InChIKey of 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is ACLHRNBXNJJNKL-LQIBPGRFSA-N. The full InChI is InChI=1S/C24H20I2O2/c1-27-21-11-5-17(6-12-21)3-9-19-15-24(26)20(16-23(19)25)10-4-18-7-13-22(28-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+.
What are the key properties of 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 594.23 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 101211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).