2-chloro-4-(1-chlorohexyl)-1-methoxybenzene

C13H18Cl2O — CID 63431280

IUPAC2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
SMILESCCCCCC(Cl)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H18Cl2O/c1-3-4-5-6-11(14)10-7-8-13(16-2)12(15)9-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWTEIWCRQKLLLJK-UHFFFAOYSA-N
MW261.19 g/mol
LogP5.21
Rot. Bonds6

About 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene

2-chloro-4-(1-chlorohexyl)-1-methoxybenzene (PubChem CID 63431280) has the molecular formula C13H18Cl2O and a molecular weight of 261.19 g/mol. Its IUPAC name is 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
PubChem CID63431280
Molecular FormulaC13H18Cl2O
Molecular Weight261.19 g/mol
Exact Mass260.07
IUPAC Name2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
SMILESCCCCCC(Cl)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H18Cl2O/c1-3-4-5-6-11(14)10-7-8-13(16-2)12(15)9-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWTEIWCRQKLLLJK-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.19
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
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3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene
CID 61080616
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
1-(1-chlorooctyl)-4-propan-2-ylbenzene
CID 55199303
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
CID 61100359
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene?
The IUPAC name of 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene (CID 63431280) is 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene.
What is the SMILES notation for 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene?
The canonical SMILES for 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene is CCCCCC(Cl)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene?
The InChIKey is WTEIWCRQKLLLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O/c1-3-4-5-6-11(14)10-7-8-13(16-2)12(15)9-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene?
2-chloro-4-(1-chlorohexyl)-1-methoxybenzene has a molecular weight of 261.19 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-chlorohexyl)-1-methoxybenzene is sourced from PubChem (CID 63431280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).