5-(2,3-dichlorophenyl)hexane-2,3-diol

C12H16Cl2O2 — CID 83924753

IUPAC5-(2,3-dichlorophenyl)hexane-2,3-diol
SMILESCC(CC(O)C(C)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O2/c1-7(6-11(16)8(2)15)9-4-3-5-10(13)12(9)14/h3-5,7-8,11,15-16H,6H2,1-2H3
InChIKeyMCSHOEHCUVBYCV-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.23
Rot. Bonds4

About 5-(2,3-dichlorophenyl)hexane-2,3-diol

5-(2,3-dichlorophenyl)hexane-2,3-diol (PubChem CID 83924753) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)hexane-2,3-diol
PubChem CID83924753
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name5-(2,3-dichlorophenyl)hexane-2,3-diol
SMILESCC(CC(O)C(C)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O2/c1-7(6-11(16)8(2)15)9-4-3-5-10(13)12(9)14/h3-5,7-8,11,15-16H,6H2,1-2H3
InChIKeyMCSHOEHCUVBYCV-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162648
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)hexane-2,3-diol?
The IUPAC name of 5-(2,3-dichlorophenyl)hexane-2,3-diol (CID 83924753) is 5-(2,3-dichlorophenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(2,3-dichlorophenyl)hexane-2,3-diol?
The canonical SMILES for 5-(2,3-dichlorophenyl)hexane-2,3-diol is CC(CC(O)C(C)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)hexane-2,3-diol?
The InChIKey is MCSHOEHCUVBYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-7(6-11(16)8(2)15)9-4-3-5-10(13)12(9)14/h3-5,7-8,11,15-16H,6H2,1-2H3.
What are the key properties of 5-(2,3-dichlorophenyl)hexane-2,3-diol?
5-(2,3-dichlorophenyl)hexane-2,3-diol has a molecular weight of 263.16 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)hexane-2,3-diol is sourced from PubChem (CID 83924753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).