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

C12H15Cl3 — CID 63559736

IUPAC1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
SMILESCCC(Cl)C(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-3-10(13)8(2)6-9-4-5-11(14)12(15)7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyMLWKWIHHSMRHGB-UHFFFAOYSA-N
MW265.61 g/mol
LogP5.19
Rot. Bonds4

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

1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene (PubChem CID 63559736) has the molecular formula C12H15Cl3 and a molecular weight of 265.61 g/mol. Its IUPAC name is 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
PubChem CID63559736
Molecular FormulaC12H15Cl3
Molecular Weight265.61 g/mol
Exact Mass264.02
IUPAC Name1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
SMILESCCC(Cl)C(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-3-10(13)8(2)6-9-4-5-11(14)12(15)7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyMLWKWIHHSMRHGB-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

4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
1-(3-chloro-2-methylpentyl)-4-ethylbenzene
CID 63560501
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
4-(3-chloro-2-methylpentyl)-1,2-dimethoxybenzene
CID 79307803
1-(3-chloro-2-methylpentyl)-4-fluorobenzene
CID 63559740
1-(3-chloro-2-methylpentyl)-4-iodobenzene
CID 65477351
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
4-(2-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene?
The IUPAC name of 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene (CID 63559736) is 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene is CCC(Cl)C(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene?
The InChIKey is MLWKWIHHSMRHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3/c1-3-10(13)8(2)6-9-4-5-11(14)12(15)7-9/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene?
1,2-dichloro-4-(3-chloro-2-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-2-methylpentyl)benzene is sourced from PubChem (CID 63559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).