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

C10H11Cl3 — CID 63443975

IUPAC2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
SMILESCC(C)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10H,1-2H3
InChIKeyNKNHRYSJQTTZHU-UHFFFAOYSA-N
MW237.56 g/mol
LogP4.93
Rot. Bonds2

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

2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene (PubChem CID 63443975) has the molecular formula C10H11Cl3 and a molecular weight of 237.56 g/mol. Its IUPAC name is 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
PubChem CID63443975
Molecular FormulaC10H11Cl3
Molecular Weight237.56 g/mol
Exact Mass235.99
IUPAC Name2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
SMILESCC(C)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10H,1-2H3
InChIKeyNKNHRYSJQTTZHU-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.56
LogP ≤ 54.93
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

(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
CID 107477429
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione
CID 43198816
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene?
The IUPAC name of 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene (CID 63443975) is 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene is CC(C)C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene?
The InChIKey is NKNHRYSJQTTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10H,1-2H3.
What are the key properties of 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene?
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene has a molecular weight of 237.56 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene is sourced from PubChem (CID 63443975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).