1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene

C23H21Cl — CID 101266907

IUPAC1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
SMILESCc1ccccc1CC/C=C(\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl/c1-18-8-5-6-9-19(18)12-7-13-23(20-10-3-2-4-11-20)21-14-16-22(24)17-15-21/h2-6,8-11,13-17H,7,12H2,1H3/b23-13+
InChIKeyTUBRZGLGPYHSRF-YDZHTSKRSA-N
MW332.87 g/mol
LogP6.71
Rot. Bonds5

About 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene

1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene (PubChem CID 101266907) has the molecular formula C23H21Cl and a molecular weight of 332.87 g/mol. Its IUPAC name is 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
PubChem CID101266907
Molecular FormulaC23H21Cl
Molecular Weight332.87 g/mol
Exact Mass332.13
IUPAC Name1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
SMILESCc1ccccc1CC/C=C(\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl/c1-18-8-5-6-9-19(18)12-7-13-23(20-10-3-2-4-11-20)21-14-16-22(24)17-15-21/h2-6,8-11,13-17H,7,12H2,1H3/b23-13+
InChIKeyTUBRZGLGPYHSRF-YDZHTSKRSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.87
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene (CID 101266907) is 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene is Cc1ccccc1CC/C=C(\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
The InChIKey is TUBRZGLGPYHSRF-YDZHTSKRSA-N. The full InChI is InChI=1S/C23H21Cl/c1-18-8-5-6-9-19(18)12-7-13-23(20-10-3-2-4-11-20)21-14-16-22(24)17-15-21/h2-6,8-11,13-17H,7,12H2,1H3/b23-13+.
What are the key properties of 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene?
1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene has a molecular weight of 332.87 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene is sourced from PubChem (CID 101266907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).