1-(1-chloroethenyl)-4-(chloromethyl)benzene

C9H8Cl2 — CID 58564593

IUPAC1-(1-chloroethenyl)-4-(chloromethyl)benzene
SMILESC=C(Cl)c1ccc(CCl)cc1
InChIInChI=1S/C9H8Cl2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1,6H2
InChIKeyAEMKLFMQSVGVSI-UHFFFAOYSA-N
MW187.07 g/mol
LogP3.63
Rot. Bonds2

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

1-(1-chloroethenyl)-4-(chloromethyl)benzene (PubChem CID 58564593) has the molecular formula C9H8Cl2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 1-(1-chloroethenyl)-4-(chloromethyl)benzene.

Molecular Properties

Compound Name1-(1-chloroethenyl)-4-(chloromethyl)benzene
PubChem CID58564593
Molecular FormulaC9H8Cl2
Molecular Weight187.07 g/mol
Exact Mass186.00
IUPAC Name1-(1-chloroethenyl)-4-(chloromethyl)benzene
SMILESC=C(Cl)c1ccc(CCl)cc1
InChIInChI=1S/C9H8Cl2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1,6H2
InChIKeyAEMKLFMQSVGVSI-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
CID 70258691
CID 70258691
4-(chloromethyl)benzenecarbothioic S-acid
CID 23063088
2-[4-(chloromethyl)phenyl]-2-oxoacetic acid
CID 3082706
1-(chloromethyl)-4-[(2E,4Z)-6-(chloromethyl)hepta-2,4,6-trien-3-yl]benzene
CID 143986114
1-(1-chloroethenyl)-4-ethenylbenzene
CID 58298786
[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone
CID 22000974
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900
4-[4-(1-chloroethenyl)phenyl]benzoyl chloride
CID 145140793
[4-(chloromethyl)phenyl]methylphosphane
CID 134463930
ethanol;methyl 4-(chloromethyl)benzoate
CID 175390968

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)-4-(chloromethyl)benzene?
The IUPAC name of 1-(1-chloroethenyl)-4-(chloromethyl)benzene (CID 58564593) is 1-(1-chloroethenyl)-4-(chloromethyl)benzene.
What is the SMILES notation for 1-(1-chloroethenyl)-4-(chloromethyl)benzene?
The canonical SMILES for 1-(1-chloroethenyl)-4-(chloromethyl)benzene is C=C(Cl)c1ccc(CCl)cc1.
What is the InChIKey of 1-(1-chloroethenyl)-4-(chloromethyl)benzene?
The InChIKey is AEMKLFMQSVGVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1,6H2.
What are the key properties of 1-(1-chloroethenyl)-4-(chloromethyl)benzene?
1-(1-chloroethenyl)-4-(chloromethyl)benzene has a molecular weight of 187.07 g/mol, XLogP of 3.63, 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-(chloromethyl)benzene is sourced from PubChem (CID 58564593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).