1,3,5-trichloro-2-(6-chlorohexoxy)benzene

C12H14Cl4O — CID 63500210

IUPAC1,3,5-trichloro-2-(6-chlorohexoxy)benzene
SMILESClCCCCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl4O/c13-5-3-1-2-4-6-17-12-10(15)7-9(14)8-11(12)16/h7-8H,1-6H2
InChIKeyGPLHGVUEMNAYHN-UHFFFAOYSA-N
MW316.06 g/mol
LogP5.82
Rot. Bonds7

About 1,3,5-trichloro-2-(6-chlorohexoxy)benzene

1,3,5-trichloro-2-(6-chlorohexoxy)benzene (PubChem CID 63500210) has the molecular formula C12H14Cl4O and a molecular weight of 316.06 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(6-chlorohexoxy)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(6-chlorohexoxy)benzene
PubChem CID63500210
Molecular FormulaC12H14Cl4O
Molecular Weight316.06 g/mol
Exact Mass313.98
IUPAC Name1,3,5-trichloro-2-(6-chlorohexoxy)benzene
SMILESClCCCCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl4O/c13-5-3-1-2-4-6-17-12-10(15)7-9(14)8-11(12)16/h7-8H,1-6H2
InChIKeyGPLHGVUEMNAYHN-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.06
LogP ≤ 55.82
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-octadecoxybenzene
CID 20520413
5-(2,4,6-trichlorophenoxy)pentan-1-ol
CID 62229545
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
CID 86080644
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
1,3-dichloro-2-(6-chlorohexoxy)-5-(methoxymethyl)benzene
CID 86080637
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
1,3-dichloro-5-(5-chloropentoxy)benzene
CID 43621927
5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
CID 148761209
5-(2,4,6-trichlorophenoxy)pentanethioamide
CID 54966446
1,3,5-trichloro-2-(4-methylsulfonylbutoxy)benzene
CID 71968632

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(6-chlorohexoxy)benzene?
The IUPAC name of 1,3,5-trichloro-2-(6-chlorohexoxy)benzene (CID 63500210) is 1,3,5-trichloro-2-(6-chlorohexoxy)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(6-chlorohexoxy)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(6-chlorohexoxy)benzene is ClCCCCCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-(6-chlorohexoxy)benzene?
The InChIKey is GPLHGVUEMNAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl4O/c13-5-3-1-2-4-6-17-12-10(15)7-9(14)8-11(12)16/h7-8H,1-6H2.
What are the key properties of 1,3,5-trichloro-2-(6-chlorohexoxy)benzene?
1,3,5-trichloro-2-(6-chlorohexoxy)benzene has a molecular weight of 316.06 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(6-chlorohexoxy)benzene is sourced from PubChem (CID 63500210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).