1-(1-chloroethenyl)-4-(2-methylphenyl)benzene

C15H13Cl — CID 156825612

IUPAC1-(1-chloroethenyl)-4-(2-methylphenyl)benzene
SMILESC=C(Cl)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C15H13Cl/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16/h3-10H,2H2,1H3
InChIKeyZJLLLTBTTQLUAA-UHFFFAOYSA-N
MW228.72 g/mol
LogP4.87
Rot. Bonds2

About 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene

1-(1-chloroethenyl)-4-(2-methylphenyl)benzene (PubChem CID 156825612) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-(1-chloroethenyl)-4-(2-methylphenyl)benzene
PubChem CID156825612
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name1-(1-chloroethenyl)-4-(2-methylphenyl)benzene
SMILESC=C(Cl)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C15H13Cl/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16/h3-10H,2H2,1H3
InChIKeyZJLLLTBTTQLUAA-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
N-ethoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
CID 123777126
2-methyl-1-[4-(2-methylphenyl)phenyl]propan-1-one
CID 82044354
4-(2-methylphenyl)benzoyl isocyanate
CID 155691325
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
propan-2-yl 4-(2-methylphenyl)benzoate
CID 139781479
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene?
The IUPAC name of 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene (CID 156825612) is 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene.
What is the SMILES notation for 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene?
The canonical SMILES for 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene is C=C(Cl)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene?
The InChIKey is ZJLLLTBTTQLUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16/h3-10H,2H2,1H3.
What are the key properties of 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene?
1-(1-chloroethenyl)-4-(2-methylphenyl)benzene has a molecular weight of 228.72 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethenyl)-4-(2-methylphenyl)benzene is sourced from PubChem (CID 156825612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).