2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene

C11H12Cl2 — CID 170498696

IUPAC2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
SMILESCc1ccc(C=CCCCl)cc1Cl
InChIInChI=1S/C11H12Cl2/c1-9-5-6-10(8-11(9)13)4-2-3-7-12/h2,4-6,8H,3,7H2,1H3
InChIKeyOHYLVEUAQUYNFD-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.29
Rot. Bonds3

About 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene

2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene (PubChem CID 170498696) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
PubChem CID170498696
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
SMILESCc1ccc(C=CCCCl)cc1Cl
InChIInChI=1S/C11H12Cl2/c1-9-5-6-10(8-11(9)13)4-2-3-7-12/h2,4-6,8H,3,7H2,1H3
InChIKeyOHYLVEUAQUYNFD-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.29
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

2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
CID 106819246
(E)-4-(3-chloro-4-methylphenyl)-N-propylbut-3-en-1-amine
CID 107561083
4-(4-chlorobut-1-enyl)-2-methoxy-1-methylbenzene
CID 170499056
N-[(E)-4-(3-chloro-4-methylphenyl)but-3-enyl]cyclopropanamine
CID 107561085
2-chloro-4-(4-chlorobut-1-enyl)-1-(trifluoromethyl)benzene
CID 170499629
1-chloro-4-(4-chlorobut-1-enyl)-2-methoxybenzene
CID 79698072
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
CID 82085965
3-[(E)-4-chlorobut-1-enyl]-1,2,4,5-tetramethylbenzene
CID 82080409
2-tert-butyl-4-(4-chlorobut-1-enyl)phenol
CID 170499691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene?
The IUPAC name of 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene (CID 170498696) is 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene?
The canonical SMILES for 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene is Cc1ccc(C=CCCCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene?
The InChIKey is OHYLVEUAQUYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-9-5-6-10(8-11(9)13)4-2-3-7-12/h2,4-6,8H,3,7H2,1H3.
What are the key properties of 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene?
2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene has a molecular weight of 215.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene is sourced from PubChem (CID 170498696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).