2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene

C10H10Cl2 — CID 106819246

IUPAC2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
SMILESCc1ccc(/C=C/CCl)cc1Cl
InChIInChI=1S/C10H10Cl2/c1-8-4-5-9(3-2-6-11)7-10(8)12/h2-5,7H,6H2,1H3/b3-2+
InChIKeyXZHWSQNQTAJKLO-NSCUHMNNSA-N
MW201.10 g/mol
LogP3.90
Rot. Bonds2

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

2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene (PubChem CID 106819246) has the molecular formula C10H10Cl2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
PubChem CID106819246
Molecular FormulaC10H10Cl2
Molecular Weight201.10 g/mol
Exact Mass200.02
IUPAC Name2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
SMILESCc1ccc(/C=C/CCl)cc1Cl
InChIInChI=1S/C10H10Cl2/c1-8-4-5-9(3-2-6-11)7-10(8)12/h2-5,7H,6H2,1H3/b3-2+
InChIKeyXZHWSQNQTAJKLO-NSCUHMNNSA-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

2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
CID 170498696
2-bromo-4-(3-chloroprop-1-enyl)-1-methylbenzene
CID 169478305
[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
(E)-4-(3-chloro-4-methylphenyl)-N-propylbut-3-en-1-amine
CID 107561083
N-[(E)-4-(3-chloro-4-methylphenyl)but-3-enyl]cyclopropanamine
CID 107561085
2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
CID 169477944
2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
CID 169476893
methyl 2-chloro-5-(3-chloroprop-1-enyl)benzoate
CID 169477809
5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
CID 169477157
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767
4-(4-chloro-3-methylphenyl)but-3-enenitrile
CID 170799183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene?
The IUPAC name of 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene (CID 106819246) is 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene?
The canonical SMILES for 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene is Cc1ccc(/C=C/CCl)cc1Cl.
What is the InChIKey of 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene?
The InChIKey is XZHWSQNQTAJKLO-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10Cl2/c1-8-4-5-9(3-2-6-11)7-10(8)12/h2-5,7H,6H2,1H3/b3-2+.
What are the key properties of 2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene?
2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-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-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene is sourced from PubChem (CID 106819246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).