4-chloro-2-(3-chloropropyl)-1-methylbenzene

C10H12Cl2 — CID 118805729

IUPAC4-chloro-2-(3-chloropropyl)-1-methylbenzene
SMILESCc1ccc(Cl)cc1CCCCl
InChIInChI=1S/C10H12Cl2/c1-8-4-5-10(12)7-9(8)3-2-6-11/h4-5,7H,2-3,6H2,1H3
InChIKeyKPNVCPYXBDUOPP-UHFFFAOYSA-N
MW203.11 g/mol
LogP3.82
Rot. Bonds3

About 4-chloro-2-(3-chloropropyl)-1-methylbenzene

4-chloro-2-(3-chloropropyl)-1-methylbenzene (PubChem CID 118805729) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 4-chloro-2-(3-chloropropyl)-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-(3-chloropropyl)-1-methylbenzene
PubChem CID118805729
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name4-chloro-2-(3-chloropropyl)-1-methylbenzene
SMILESCc1ccc(Cl)cc1CCCCl
InChIInChI=1S/C10H12Cl2/c1-8-4-5-10(12)7-9(8)3-2-6-11/h4-5,7H,2-3,6H2,1H3
InChIKeyKPNVCPYXBDUOPP-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.82
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

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2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
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4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloropropyl)-1-methylbenzene?
The IUPAC name of 4-chloro-2-(3-chloropropyl)-1-methylbenzene (CID 118805729) is 4-chloro-2-(3-chloropropyl)-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-(3-chloropropyl)-1-methylbenzene?
The canonical SMILES for 4-chloro-2-(3-chloropropyl)-1-methylbenzene is Cc1ccc(Cl)cc1CCCCl.
What is the InChIKey of 4-chloro-2-(3-chloropropyl)-1-methylbenzene?
The InChIKey is KPNVCPYXBDUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-8-4-5-10(12)7-9(8)3-2-6-11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-chloro-2-(3-chloropropyl)-1-methylbenzene?
4-chloro-2-(3-chloropropyl)-1-methylbenzene has a molecular weight of 203.11 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloropropyl)-1-methylbenzene is sourced from PubChem (CID 118805729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).