1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene

C15H12Cl2 — CID 139836196

IUPAC1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene
SMILESClC(Cl)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C15H12Cl2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H/b11-10+
InChIKeyLDHILQBPCGMBKD-ZHACJKMWSA-N
MW263.17 g/mol
LogP5.33
Rot. Bonds3

About 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene

1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene (PubChem CID 139836196) has the molecular formula C15H12Cl2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene
PubChem CID139836196
Molecular FormulaC15H12Cl2
Molecular Weight263.17 g/mol
Exact Mass262.03
IUPAC Name1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene
SMILESClC(Cl)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C15H12Cl2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H/b11-10+
InChIKeyLDHILQBPCGMBKD-ZHACJKMWSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.17
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-[(E)-2-phenylethenyl]phenyl]methanediol
CID 23212079
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2-chloro-3-(2-phenylethenyl)phenol
CID 70555314
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]
CID 123900439
2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 166436804

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene (CID 139836196) is 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene is ClC(Cl)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene?
The InChIKey is LDHILQBPCGMBKD-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12Cl2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H/b11-10+.
What are the key properties of 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene?
1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene has a molecular weight of 263.17 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 139836196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).