[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol

C13H17Cl3O2 — CID 86080644

IUPAC[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
SMILESOCc1cc(Cl)c(OCCCCCCCl)c(Cl)c1
InChIInChI=1S/C13H17Cl3O2/c14-5-3-1-2-4-6-18-13-11(15)7-10(9-17)8-12(13)16/h7-8,17H,1-6,9H2
InChIKeyGZBMFTGXSFOQAX-UHFFFAOYSA-N
MW311.64 g/mol
LogP4.66
Rot. Bonds8

About [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol

[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol (PubChem CID 86080644) has the molecular formula C13H17Cl3O2 and a molecular weight of 311.64 g/mol. Its IUPAC name is [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
PubChem CID86080644
Molecular FormulaC13H17Cl3O2
Molecular Weight311.64 g/mol
Exact Mass310.03
IUPAC Name[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
SMILESOCc1cc(Cl)c(OCCCCCCCl)c(Cl)c1
InChIInChI=1S/C13H17Cl3O2/c14-5-3-1-2-4-6-18-13-11(15)7-10(9-17)8-12(13)16/h7-8,17H,1-6,9H2
InChIKeyGZBMFTGXSFOQAX-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol?
The IUPAC name of [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol (CID 86080644) is [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol?
The canonical SMILES for [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol is OCc1cc(Cl)c(OCCCCCCCl)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol?
The InChIKey is GZBMFTGXSFOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3O2/c14-5-3-1-2-4-6-18-13-11(15)7-10(9-17)8-12(13)16/h7-8,17H,1-6,9H2.
What are the key properties of [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol?
[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol has a molecular weight of 311.64 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol is sourced from PubChem (CID 86080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).