1,3-dichloro-2-(6-chlorohexoxy)benzene

C12H15Cl3O — CID 63499301

IUPAC1,3-dichloro-2-(6-chlorohexoxy)benzene
SMILESClCCCCCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl3O/c13-8-3-1-2-4-9-16-12-10(14)6-5-7-11(12)15/h5-7H,1-4,8-9H2
InChIKeyKFJZJVLJOBEBCQ-UHFFFAOYSA-N
MW281.61 g/mol
LogP5.17
Rot. Bonds7

About 1,3-dichloro-2-(6-chlorohexoxy)benzene

1,3-dichloro-2-(6-chlorohexoxy)benzene (PubChem CID 63499301) has the molecular formula C12H15Cl3O and a molecular weight of 281.61 g/mol. Its IUPAC name is 1,3-dichloro-2-(6-chlorohexoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(6-chlorohexoxy)benzene
PubChem CID63499301
Molecular FormulaC12H15Cl3O
Molecular Weight281.61 g/mol
Exact Mass280.02
IUPAC Name1,3-dichloro-2-(6-chlorohexoxy)benzene
SMILESClCCCCCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl3O/c13-8-3-1-2-4-9-16-12-10(14)6-5-7-11(12)15/h5-7H,1-4,8-9H2
InChIKeyKFJZJVLJOBEBCQ-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.61
LogP ≤ 55.17
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

1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
1,3-dichloro-2-[5-(2,2,2-trifluoroethoxy)pentoxy]benzene
CID 140992298
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503
6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
CID 86080644
3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
CID 60800210
2-(2,6-dichlorophenoxy)ethylhydrazine
CID 3798878
1-chloro-9,10-didodecoxyanthracene
CID 139930048
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(6-chlorohexoxy)benzene?
The IUPAC name of 1,3-dichloro-2-(6-chlorohexoxy)benzene (CID 63499301) is 1,3-dichloro-2-(6-chlorohexoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-(6-chlorohexoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-(6-chlorohexoxy)benzene is ClCCCCCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(6-chlorohexoxy)benzene?
The InChIKey is KFJZJVLJOBEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3O/c13-8-3-1-2-4-9-16-12-10(14)6-5-7-11(12)15/h5-7H,1-4,8-9H2.
What are the key properties of 1,3-dichloro-2-(6-chlorohexoxy)benzene?
1,3-dichloro-2-(6-chlorohexoxy)benzene has a molecular weight of 281.61 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(6-chlorohexoxy)benzene is sourced from PubChem (CID 63499301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).