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

C13H18Cl2O2 — CID 137375812

IUPAC(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
SMILESCCCC[C@@H](O)[C@H](OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-4-8-11(16)13(17-2)12-9(14)6-5-7-10(12)15/h5-7,11,13,16H,3-4,8H2,1-2H3/t11-,13+/m1/s1
InChIKeyOMUUADPRNLYXSQ-YPMHNXCESA-N
MW277.19 g/mol
LogP4.23
Rot. Bonds6

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

(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol (PubChem CID 137375812) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
PubChem CID137375812
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
SMILESCCCC[C@@H](O)[C@H](OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-4-8-11(16)13(17-2)12-9(14)6-5-7-10(12)15/h5-7,11,13,16H,3-4,8H2,1-2H3/t11-,13+/m1/s1
InChIKeyOMUUADPRNLYXSQ-YPMHNXCESA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-[amino(hydroxy)methoxy]-1-(2,6-dichlorophenyl)hexan-2-ol
CID 126633859
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate
CID 123775116
1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
CID 114754167
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate
CID 130340375
(2,6-dichlorophenyl)-ethoxymethanol
CID 22954642
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
2-(2-chloro-6-fluorophenyl)hexanoic acid
CID 175420483
1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol
CID 137375637
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol?
The IUPAC name of (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol (CID 137375812) is (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol.
What is the SMILES notation for (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol?
The canonical SMILES for (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol is CCCC[C@@H](O)[C@H](OC)c1c(Cl)cccc1Cl.
What is the InChIKey of (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol?
The InChIKey is OMUUADPRNLYXSQ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-3-4-8-11(16)13(17-2)12-9(14)6-5-7-10(12)15/h5-7,11,13,16H,3-4,8H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol?
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol has a molecular weight of 277.19 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol is sourced from PubChem (CID 137375812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).