1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene

C23H19Cl — CID 20730510

IUPAC1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H19Cl/c1-18-2-4-19(5-3-18)6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(24)17-15-22/h2-17H,1H3/b7-6+,13-12+
InChIKeyUBKYDEFYTXSCCC-GYIPPJPDSA-N
MW330.86 g/mol
LogP6.99
Rot. Bonds4

About 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene

1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene (PubChem CID 20730510) has the molecular formula C23H19Cl and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
PubChem CID20730510
Molecular FormulaC23H19Cl
Molecular Weight330.86 g/mol
Exact Mass330.12
IUPAC Name1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H19Cl/c1-18-2-4-19(5-3-18)6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(24)17-15-22/h2-17H,1H3/b7-6+,13-12+
InChIKeyUBKYDEFYTXSCCC-GYIPPJPDSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
1-chloro-4-methylbenzene;zinc
CID 174694335
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973
1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
CID 11379525
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
1-[(E)-2-bromoethenyl]-4-chlorobenzene
CID 5372382
1-chloro-4-[2-(4-methylphenyl)ethenoxymethyl]benzene
CID 71391836
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
1-chloro-4-methylbenzene;formic acid
CID 158103199
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene (CID 20730510) is 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene is Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
The InChIKey is UBKYDEFYTXSCCC-GYIPPJPDSA-N. The full InChI is InChI=1S/C23H19Cl/c1-18-2-4-19(5-3-18)6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(24)17-15-22/h2-17H,1H3/b7-6+,13-12+.
What are the key properties of 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene has a molecular weight of 330.86 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 20730510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).