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

C12H15Cl3 — CID 63460559

IUPAC1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
SMILESCC(C)C(Cl)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-8(2)10(13)5-3-9-4-6-11(14)12(15)7-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyIAHWMWWFOMDIRT-UHFFFAOYSA-N
MW265.61 g/mol
LogP5.19
Rot. Bonds4

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

1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene (PubChem CID 63460559) has the molecular formula C12H15Cl3 and a molecular weight of 265.61 g/mol. Its IUPAC name is 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
PubChem CID63460559
Molecular FormulaC12H15Cl3
Molecular Weight265.61 g/mol
Exact Mass264.02
IUPAC Name1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
SMILESCC(C)C(Cl)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-8(2)10(13)5-3-9-4-6-11(14)12(15)7-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyIAHWMWWFOMDIRT-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.61
LogP ≤ 55.19
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

1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
1-chloro-4-(3-chloro-4-methylpentyl)-2-methoxybenzene
CID 79697795
4-(3-chloro-4-methylpentyl)-1,2-dimethylbenzene
CID 63461673
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882
7-(3-chloro-4-methylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 64508886
1-(3-chloro-4-methylpentyl)-4-iodobenzene
CID 65478133
1-(3-chloro-4-methylpentyl)-4-fluorobenzene
CID 63460750
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene?
The IUPAC name of 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene (CID 63460559) is 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene is CC(C)C(Cl)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene?
The InChIKey is IAHWMWWFOMDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3/c1-8(2)10(13)5-3-9-4-6-11(14)12(15)7-9/h4,6-8,10H,3,5H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene?
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene has a molecular weight of 265.61 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene is sourced from PubChem (CID 63460559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).