3-(5,6-dichlorohexoxy)phenol

C12H16Cl2O2 — CID 54471375

IUPAC3-(5,6-dichlorohexoxy)phenol
SMILESOc1cccc(OCCCCC(Cl)CCl)c1
InChIInChI=1S/C12H16Cl2O2/c13-9-10(14)4-1-2-7-16-12-6-3-5-11(15)8-12/h3,5-6,8,10,15H,1-2,4,7,9H2
InChIKeyNQFMWERECUJBKV-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.79
Rot. Bonds7

About 3-(5,6-dichlorohexoxy)phenol

3-(5,6-dichlorohexoxy)phenol (PubChem CID 54471375) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 3-(5,6-dichlorohexoxy)phenol.

Molecular Properties

Compound Name3-(5,6-dichlorohexoxy)phenol
PubChem CID54471375
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name3-(5,6-dichlorohexoxy)phenol
SMILESOc1cccc(OCCCCC(Cl)CCl)c1
InChIInChI=1S/C12H16Cl2O2/c13-9-10(14)4-1-2-7-16-12-6-3-5-11(15)8-12/h3,5-6,8,10,15H,1-2,4,7,9H2
InChIKeyNQFMWERECUJBKV-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.79
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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Related Compounds

3-dodecoxyphenol
CID 15719132
3-(3-fluorobutoxy)phenol
CID 84659596
3-(6-phenylhexoxy)phenol
CID 54079626
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
formic acid;3-hexoxyphenol
CID 174800460
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
3-(2-ethylsulfonylethoxy)phenol
CID 43808006

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichlorohexoxy)phenol?
The IUPAC name of 3-(5,6-dichlorohexoxy)phenol (CID 54471375) is 3-(5,6-dichlorohexoxy)phenol.
What is the SMILES notation for 3-(5,6-dichlorohexoxy)phenol?
The canonical SMILES for 3-(5,6-dichlorohexoxy)phenol is Oc1cccc(OCCCCC(Cl)CCl)c1.
What is the InChIKey of 3-(5,6-dichlorohexoxy)phenol?
The InChIKey is NQFMWERECUJBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c13-9-10(14)4-1-2-7-16-12-6-3-5-11(15)8-12/h3,5-6,8,10,15H,1-2,4,7,9H2.
What are the key properties of 3-(5,6-dichlorohexoxy)phenol?
3-(5,6-dichlorohexoxy)phenol has a molecular weight of 263.16 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichlorohexoxy)phenol is sourced from PubChem (CID 54471375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).