2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene

C10H10Cl2 — CID 169476893

IUPAC2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
SMILESCc1ccc(C=CCCl)c(Cl)c1
InChIInChI=1S/C10H10Cl2/c1-8-4-5-9(3-2-6-11)10(12)7-8/h2-5,7H,6H2,1H3
InChIKeyBIZFHOVJXYBXDR-UHFFFAOYSA-N
MW201.10 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene

2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene (PubChem CID 169476893) has the molecular formula C10H10Cl2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
PubChem CID169476893
Molecular FormulaC10H10Cl2
Molecular Weight201.10 g/mol
Exact Mass200.02
IUPAC Name2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
SMILESCc1ccc(C=CCCl)c(Cl)c1
InChIInChI=1S/C10H10Cl2/c1-8-4-5-9(3-2-6-11)10(12)7-8/h2-5,7H,6H2,1H3
InChIKeyBIZFHOVJXYBXDR-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 53.90
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

4-(2-chloro-4-methylphenyl)but-3-en-1-ol
CID 170476087
3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
CID 169477223
ethyl 4-(2-chloro-4-methylphenyl)but-3-enoate
CID 170795653
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine
CID 176726563
2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
CID 106819246
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine
CID 106870888
1-(3-chloroprop-1-enyl)-2,4,5-trimethylbenzene
CID 79323104
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene?
The IUPAC name of 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene (CID 169476893) is 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene?
The canonical SMILES for 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene is Cc1ccc(C=CCCl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene?
The InChIKey is BIZFHOVJXYBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2/c1-8-4-5-9(3-2-6-11)10(12)7-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene?
2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene has a molecular weight of 201.10 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene is sourced from PubChem (CID 169476893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).