4-chloro-2-(3-chlorohexyl)-1-methoxybenzene

C13H18Cl2O — CID 63460736

IUPAC4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
SMILESCCCC(Cl)CCc1cc(Cl)ccc1OC
InChIInChI=1S/C13H18Cl2O/c1-3-4-11(14)6-5-10-9-12(15)7-8-13(10)16-2/h7-9,11H,3-6H2,1-2H3
InChIKeyRUWMXVCPWDDMIB-UHFFFAOYSA-N
MW261.19 g/mol
LogP4.69
Rot. Bonds6

About 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene

4-chloro-2-(3-chlorohexyl)-1-methoxybenzene (PubChem CID 63460736) has the molecular formula C13H18Cl2O and a molecular weight of 261.19 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
PubChem CID63460736
Molecular FormulaC13H18Cl2O
Molecular Weight261.19 g/mol
Exact Mass260.07
IUPAC Name4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
SMILESCCCC(Cl)CCc1cc(Cl)ccc1OC
InChIInChI=1S/C13H18Cl2O/c1-3-4-11(14)6-5-10-9-12(15)7-8-13(10)16-2/h7-9,11H,3-6H2,1-2H3
InChIKeyRUWMXVCPWDDMIB-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
4-(3-chlorohexyl)-2-fluoro-1-methoxybenzene
CID 63460549
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene (CID 63460736) is 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene is CCCC(Cl)CCc1cc(Cl)ccc1OC.
What is the InChIKey of 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene?
The InChIKey is RUWMXVCPWDDMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O/c1-3-4-11(14)6-5-10-9-12(15)7-8-13(10)16-2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene?
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene has a molecular weight of 261.19 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorohexyl)-1-methoxybenzene is sourced from PubChem (CID 63460736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).