dichloromethylbenzene;ethene

C9H10Cl2 — CID 157063786

IUPACdichloromethylbenzene;ethene
SMILESC=C.ClC(Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2.C2H4/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H2
InChIKeyABQCQSTWZIQXCT-UHFFFAOYSA-N
MW189.08 g/mol
LogP3.96
Rot. Bonds1

About dichloromethylbenzene;ethene

dichloromethylbenzene;ethene (PubChem CID 157063786) has the molecular formula C9H10Cl2 and a molecular weight of 189.08 g/mol. Its IUPAC name is dichloromethylbenzene;ethene.

Molecular Properties

Compound Namedichloromethylbenzene;ethene
PubChem CID157063786
Molecular FormulaC9H10Cl2
Molecular Weight189.08 g/mol
Exact Mass188.02
IUPAC Namedichloromethylbenzene;ethene
SMILESC=C.ClC(Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2.C2H4/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H2
InChIKeyABQCQSTWZIQXCT-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloromethylbenzene
CID 7411
dichloromethylbenzene;isocyanic acid
CID 88815786
dichloromethylbenzene;isocyanic acid
CID 88845451
dichloromethylbenzene;nitrous acid
CID 175092421
(Chlorobenzyl)silane
CID 23051080
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-chloroprop-2-enylbenzene
CID 11768772
[(1R)-1-chloroethyl]benzene
CID 642190
CID 57277614
CID 57277614
[chloro(ethenoxy)methyl]benzene
CID 175176601
[chloro(phenyl)methyl]hydrazine
CID 67761420

Frequently Asked Questions

What is the IUPAC name of dichloromethylbenzene;ethene?
The IUPAC name of dichloromethylbenzene;ethene (CID 157063786) is dichloromethylbenzene;ethene.
What is the SMILES notation for dichloromethylbenzene;ethene?
The canonical SMILES for dichloromethylbenzene;ethene is C=C.ClC(Cl)c1ccccc1.
What is the InChIKey of dichloromethylbenzene;ethene?
The InChIKey is ABQCQSTWZIQXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.C2H4/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H2.
What are the key properties of dichloromethylbenzene;ethene?
dichloromethylbenzene;ethene has a molecular weight of 189.08 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylbenzene;ethene is sourced from PubChem (CID 157063786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).