2-chloroethenylbenzene;2-methylprop-1-ene

C12H15Cl — CID 174753636

IUPAC2-chloroethenylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.C4H8/c9-7-6-8-4-2-1-3-5-8;1-4(2)3/h1-7H;1H2,2-3H3
InChIKeyVUIVTAFILNKFJD-UHFFFAOYSA-N
MW194.70 g/mol
LogP4.48
Rot. Bonds1

About 2-chloroethenylbenzene;2-methylprop-1-ene

2-chloroethenylbenzene;2-methylprop-1-ene (PubChem CID 174753636) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 2-chloroethenylbenzene;2-methylprop-1-ene.

Molecular Properties

Compound Name2-chloroethenylbenzene;2-methylprop-1-ene
PubChem CID174753636
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name2-chloroethenylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.C4H8/c9-7-6-8-4-2-1-3-5-8;1-4(2)3/h1-7H;1H2,2-3H3
InChIKeyVUIVTAFILNKFJD-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethenylbenzene;methanol
CID 159831331
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2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
2-chloroethenylbenzene;prop-2-enamide
CID 160803548
alumane;2-chloroethenylbenzene;iron;sulfuric acid
CID 174622645
1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
CID 158705865
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CID 172803728
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
1-chloro-2-ethenylbenzene;2-chloroethenylbenzene
CID 161200369
2-chloroethenylbenzene;2,6-dimethylpiperidine
CID 174658735
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812

Frequently Asked Questions

What is the IUPAC name of 2-chloroethenylbenzene;2-methylprop-1-ene?
The IUPAC name of 2-chloroethenylbenzene;2-methylprop-1-ene (CID 174753636) is 2-chloroethenylbenzene;2-methylprop-1-ene.
What is the SMILES notation for 2-chloroethenylbenzene;2-methylprop-1-ene?
The canonical SMILES for 2-chloroethenylbenzene;2-methylprop-1-ene is C=C(C)C.ClC=Cc1ccccc1.
What is the InChIKey of 2-chloroethenylbenzene;2-methylprop-1-ene?
The InChIKey is VUIVTAFILNKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.C4H8/c9-7-6-8-4-2-1-3-5-8;1-4(2)3/h1-7H;1H2,2-3H3.
What are the key properties of 2-chloroethenylbenzene;2-methylprop-1-ene?
2-chloroethenylbenzene;2-methylprop-1-ene has a molecular weight of 194.70 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethenylbenzene;2-methylprop-1-ene is sourced from PubChem (CID 174753636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).