1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol

C13H18Cl2O2 — CID 116711728

IUPAC1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
SMILESCCCC(OC)C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-5-13(17-2)12(16)8-9-10(14)6-4-7-11(9)15/h4,6-7,12-13,16H,3,5,8H2,1-2H3
InChIKeySOYMPACZUJYGDD-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.71
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol

1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol (PubChem CID 116711728) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
PubChem CID116711728
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
SMILESCCCC(OC)C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-5-13(17-2)12(16)8-9-10(14)6-4-7-11(9)15/h4,6-7,12-13,16H,3,5,8H2,1-2H3
InChIKeySOYMPACZUJYGDD-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
CID 116711612
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
CID 116710695
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
4-methoxynonan-5-ol
CID 116711594
1,3-dimethoxyhexan-2-ol
CID 116711716

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol (CID 116711728) is 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol is CCCC(OC)C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol?
The InChIKey is SOYMPACZUJYGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-3-5-13(17-2)12(16)8-9-10(14)6-4-7-11(9)15/h4,6-7,12-13,16H,3,5,8H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol?
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol has a molecular weight of 277.19 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol is sourced from PubChem (CID 116711728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).