1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene

C12H12Cl2 — CID 71384042

IUPAC1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene
SMILESCc1ccc(C=CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H12Cl2/c1-9-2-4-10(5-3-9)6-7-11-8-12(11,13)14/h2-7,11H,8H2,1H3
InChIKeyYCANNBQLPXZMNX-UHFFFAOYSA-N
MW227.13 g/mol
LogP4.20
Rot. Bonds2

About 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene

1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene (PubChem CID 71384042) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene
PubChem CID71384042
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene
SMILESCc1ccc(C=CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H12Cl2/c1-9-2-4-10(5-3-9)6-7-11-8-12(11,13)14/h2-7,11H,8H2,1H3
InChIKeyYCANNBQLPXZMNX-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.20
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

Benzotrichloride
CID 7367
Benzal chloride
CID 7411
1,4-Bis(trichloromethyl)benzene
CID 6233
alpha,alpha'-Dichloro-p-xylene
CID 12171
4-Methylbenzyl chloride
CID 7722
Xylylene dichloride
CID 22061591
p-Vinylbenzyl chloride
CID 74126
(1-Chloroethyl)benzene
CID 12648
Benzene, (2,2-dichloroethyl)-
CID 74000
Styrene, alpha,beta-dichloro-
CID 5356088
1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane
CID 20452
(Dichlorofluoromethyl)benzene
CID 68136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene?
The IUPAC name of 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene (CID 71384042) is 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene?
The canonical SMILES for 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene is Cc1ccc(C=CC2CC2(Cl)Cl)cc1.
What is the InChIKey of 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene?
The InChIKey is YCANNBQLPXZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2/c1-9-2-4-10(5-3-9)6-7-11-8-12(11,13)14/h2-7,11H,8H2,1H3.
What are the key properties of 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene?
1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene has a molecular weight of 227.13 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dichlorocyclopropyl)ethenyl]-4-methylbenzene is sourced from PubChem (CID 71384042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).