1-chloro-2-(2-chlorohexyl)benzene

C12H16Cl2 — CID 63519497

IUPAC1-chloro-2-(2-chlorohexyl)benzene
SMILESCCCCC(Cl)Cc1ccccc1Cl
InChIInChI=1S/C12H16Cl2/c1-2-3-7-11(13)9-10-6-4-5-8-12(10)14/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyHUNLELIPYCTLLH-UHFFFAOYSA-N
MW231.17 g/mol
LogP4.68
Rot. Bonds5

About 1-chloro-2-(2-chlorohexyl)benzene

1-chloro-2-(2-chlorohexyl)benzene (PubChem CID 63519497) has the molecular formula C12H16Cl2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-chloro-2-(2-chlorohexyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-chlorohexyl)benzene
PubChem CID63519497
Molecular FormulaC12H16Cl2
Molecular Weight231.17 g/mol
Exact Mass230.06
IUPAC Name1-chloro-2-(2-chlorohexyl)benzene
SMILESCCCCC(Cl)Cc1ccccc1Cl
InChIInChI=1S/C12H16Cl2/c1-2-3-7-11(13)9-10-6-4-5-8-12(10)14/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyHUNLELIPYCTLLH-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 54.68
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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chlorohexyl)benzene?
The IUPAC name of 1-chloro-2-(2-chlorohexyl)benzene (CID 63519497) is 1-chloro-2-(2-chlorohexyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-chlorohexyl)benzene?
The canonical SMILES for 1-chloro-2-(2-chlorohexyl)benzene is CCCCC(Cl)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2-chlorohexyl)benzene?
The InChIKey is HUNLELIPYCTLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2/c1-2-3-7-11(13)9-10-6-4-5-8-12(10)14/h4-6,8,11H,2-3,7,9H2,1H3.
What are the key properties of 1-chloro-2-(2-chlorohexyl)benzene?
1-chloro-2-(2-chlorohexyl)benzene has a molecular weight of 231.17 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chlorohexyl)benzene is sourced from PubChem (CID 63519497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).