1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene

C10H11Cl3 — CID 64664629

IUPAC1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
SMILESCC(CCl)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl3/c1-7(6-11)4-8-5-9(12)2-3-10(8)13/h2-3,5,7H,4,6H2,1H3
InChIKeyYZCNUTKHHUJYAU-UHFFFAOYSA-N
MW237.56 g/mol
LogP4.41
Rot. Bonds3

About 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene

1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene (PubChem CID 64664629) has the molecular formula C10H11Cl3 and a molecular weight of 237.56 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
PubChem CID64664629
Molecular FormulaC10H11Cl3
Molecular Weight237.56 g/mol
Exact Mass235.99
IUPAC Name1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
SMILESCC(CCl)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl3/c1-7(6-11)4-8-5-9(12)2-3-10(8)13/h2-3,5,7H,4,6H2,1H3
InChIKeyYZCNUTKHHUJYAU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene?
The IUPAC name of 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene (CID 64664629) is 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene is CC(CCl)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene?
The InChIKey is YZCNUTKHHUJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3/c1-7(6-11)4-8-5-9(12)2-3-10(8)13/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene?
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene has a molecular weight of 237.56 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene is sourced from PubChem (CID 64664629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).