1-(chloromethyl)-4-(1-phenylethenyl)benzene

C15H13Cl — CID 68708989

IUPAC1-(chloromethyl)-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(CCl)cc1
InChIInChI=1S/C15H13Cl/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10H,1,11H2
InChIKeyJRGJUITXPQZXJN-UHFFFAOYSA-N
MW228.72 g/mol
LogP4.49
Rot. Bonds3

About 1-(chloromethyl)-4-(1-phenylethenyl)benzene

1-(chloromethyl)-4-(1-phenylethenyl)benzene (PubChem CID 68708989) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(1-phenylethenyl)benzene
PubChem CID68708989
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name1-(chloromethyl)-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(CCl)cc1
InChIInChI=1S/C15H13Cl/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10H,1,11H2
InChIKeyJRGJUITXPQZXJN-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-4-(1-phenylethenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-chloroethenyl)-4-(chloromethyl)benzene
CID 58564593
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
chloromethylbenzene;formaldehyde
CID 157080705
chloro-dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]-λ4-sulfane
CID 130246551
CID 18435300
CID 18435300
chloromethylbenzene;ruthenium
CID 161305198
chloromethylbenzene;methane
CID 174969037
chloro-[4-(1-phenylethenyl)phenyl]phosphane
CID 167036025
1-(chloromethyl)-4-phenylbenzene
CID 15463
phenol;1-phenylethenylbenzene
CID 174309625

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(1-phenylethenyl)benzene?
The IUPAC name of 1-(chloromethyl)-4-(1-phenylethenyl)benzene (CID 68708989) is 1-(chloromethyl)-4-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(1-phenylethenyl)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(1-phenylethenyl)benzene?
The InChIKey is JRGJUITXPQZXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10H,1,11H2.
What are the key properties of 1-(chloromethyl)-4-(1-phenylethenyl)benzene?
1-(chloromethyl)-4-(1-phenylethenyl)benzene has a molecular weight of 228.72 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(1-phenylethenyl)benzene is sourced from PubChem (CID 68708989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).