1,2-dichloro-4-(3-chlorohexan-2-yl)benzene

C12H15Cl3 — CID 83051567

IUPAC1,2-dichloro-4-(3-chlorohexan-2-yl)benzene
SMILESCCCC(Cl)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-3-4-10(13)8(2)9-5-6-11(14)12(15)7-9/h5-8,10H,3-4H2,1-2H3
InChIKeyYPTICLIXWOPPMW-UHFFFAOYSA-N
MW265.61 g/mol
LogP5.50
Rot. Bonds4

About 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene

1,2-dichloro-4-(3-chlorohexan-2-yl)benzene (PubChem CID 83051567) has the molecular formula C12H15Cl3 and a molecular weight of 265.61 g/mol. Its IUPAC name is 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3-chlorohexan-2-yl)benzene
PubChem CID83051567
Molecular FormulaC12H15Cl3
Molecular Weight265.61 g/mol
Exact Mass264.02
IUPAC Name1,2-dichloro-4-(3-chlorohexan-2-yl)benzene
SMILESCCCC(Cl)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-3-4-10(13)8(2)9-5-6-11(14)12(15)7-9/h5-8,10H,3-4H2,1-2H3
InChIKeyYPTICLIXWOPPMW-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-4-(2-methylheptan-4-yl)benzene
CID 67949273
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
2-chloro-3-(3,4-dichlorophenyl)butanoic acid
CID 83662565
3-(3,4-dichlorophenyl)-2-methylbutanal
CID 123198585
CID 87727172
CID 87727172
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene?
The IUPAC name of 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene (CID 83051567) is 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene is CCCC(Cl)C(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene?
The InChIKey is YPTICLIXWOPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3/c1-3-4-10(13)8(2)9-5-6-11(14)12(15)7-9/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(3-chlorohexan-2-yl)benzene?
1,2-dichloro-4-(3-chlorohexan-2-yl)benzene has a molecular weight of 265.61 g/mol, XLogP of 5.50, 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-chlorohexan-2-yl)benzene is sourced from PubChem (CID 83051567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).