1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene

C24H23Cl — CID 141453194

IUPAC1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene
SMILESCCCCc1ccccc1-c1ccccc1/C=C/c1cccc(Cl)c1
InChIInChI=1S/C24H23Cl/c1-2-3-10-20-11-4-6-14-23(20)24-15-7-5-12-21(24)17-16-19-9-8-13-22(25)18-19/h4-9,11-18H,2-3,10H2,1H3/b17-16+
InChIKeyVQRSHDJIBQVQPS-WUKNDPDISA-N
MW346.90 g/mol
LogP7.52
Rot. Bonds6

About 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene

1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene (PubChem CID 141453194) has the molecular formula C24H23Cl and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene.

Molecular Properties

Compound Name1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene
PubChem CID141453194
Molecular FormulaC24H23Cl
Molecular Weight346.90 g/mol
Exact Mass346.15
IUPAC Name1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene
SMILESCCCCc1ccccc1-c1ccccc1/C=C/c1cccc(Cl)c1
InChIInChI=1S/C24H23Cl/c1-2-3-10-20-11-4-6-14-23(20)24-15-7-5-12-21(24)17-16-19-9-8-13-22(25)18-19/h4-9,11-18H,2-3,10H2,1H3/b17-16+
InChIKeyVQRSHDJIBQVQPS-WUKNDPDISA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 57.52
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

1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
CID 141453206
2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
CID 174798899
5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
CID 141453211
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 101472546
1-(4-butylphenyl)-3-(3-chlorophenyl)prop-2-ene-1-thione
CID 88620780
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
2-[3-[3-[(Z)-2-(3-chlorophenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68941009
2-[3-[3-[2-(3-chlorophenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68941012

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene?
The IUPAC name of 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene (CID 141453194) is 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene.
What is the SMILES notation for 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene?
The canonical SMILES for 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene is CCCCc1ccccc1-c1ccccc1/C=C/c1cccc(Cl)c1.
What is the InChIKey of 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene?
The InChIKey is VQRSHDJIBQVQPS-WUKNDPDISA-N. The full InChI is InChI=1S/C24H23Cl/c1-2-3-10-20-11-4-6-14-23(20)24-15-7-5-12-21(24)17-16-19-9-8-13-22(25)18-19/h4-9,11-18H,2-3,10H2,1H3/b17-16+.
What are the key properties of 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene?
1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene has a molecular weight of 346.90 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene is sourced from PubChem (CID 141453194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).