(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol

C12H16Cl2O2 — CID 66633917

IUPAC(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
SMILESCCCCC(O)[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-3-7-10(15)12(16)11-8(13)5-4-6-9(11)14/h4-6,10,12,15-16H,2-3,7H2,1H3/t10?,12-/m0/s1
InChIKeyGASSOTNCOMXJIO-KFJBMODSSA-N
MW263.16 g/mol
LogP3.58
Rot. Bonds5

About (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol

(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol (PubChem CID 66633917) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
PubChem CID66633917
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
SMILESCCCCC(O)[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-3-7-10(15)12(16)11-8(13)5-4-6-9(11)14/h4-6,10,12,15-16H,2-3,7H2,1H3/t10?,12-/m0/s1
InChIKeyGASSOTNCOMXJIO-KFJBMODSSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
(1S,2S)-1-[amino(hydroxy)methoxy]-1-(2,6-dichlorophenyl)hexan-2-ol
CID 126633859
1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
CID 114754167
1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
(1S,2S)-4-[2,4-dichloro-3-[(1R,2R)-1,2-dihydroxybutyl]phenyl]-1-(2,6-dichlorophenyl)butane-1,2-diol
CID 126575211
1-(2,6-dichlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170819441
3-bromo-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 171859547
3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 170827623
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015
4-bromo-1-(2-chloro-6-methylphenyl)butane-1,2-diol
CID 171891540
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol?
The IUPAC name of (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol (CID 66633917) is (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol.
What is the SMILES notation for (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol?
The canonical SMILES for (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol is CCCCC(O)[C@H](O)c1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol?
The InChIKey is GASSOTNCOMXJIO-KFJBMODSSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-2-3-7-10(15)12(16)11-8(13)5-4-6-9(11)14/h4-6,10,12,15-16H,2-3,7H2,1H3/t10?,12-/m0/s1.
What are the key properties of (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol?
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol has a molecular weight of 263.16 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol is sourced from PubChem (CID 66633917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).