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

C12H17ClO2 — CID 83924274

IUPAC5-(2-chlorophenyl)hexane-2,3-diol
SMILESCC(CC(O)C(C)O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO2/c1-8(7-12(15)9(2)14)10-5-3-4-6-11(10)13/h3-6,8-9,12,14-15H,7H2,1-2H3
InChIKeyNIONIUVNLRHLGT-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.58
Rot. Bonds4

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

5-(2-chlorophenyl)hexane-2,3-diol (PubChem CID 83924274) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(2-chlorophenyl)hexane-2,3-diol
PubChem CID83924274
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name5-(2-chlorophenyl)hexane-2,3-diol
SMILESCC(CC(O)C(C)O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO2/c1-8(7-12(15)9(2)14)10-5-3-4-6-11(10)13/h3-6,8-9,12,14-15H,7H2,1-2H3
InChIKeyNIONIUVNLRHLGT-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
3-(2-chlorophenyl)butanoic acid
CID 54775987
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)hexane-2,3-diol?
The IUPAC name of 5-(2-chlorophenyl)hexane-2,3-diol (CID 83924274) is 5-(2-chlorophenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(2-chlorophenyl)hexane-2,3-diol?
The canonical SMILES for 5-(2-chlorophenyl)hexane-2,3-diol is CC(CC(O)C(C)O)c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)hexane-2,3-diol?
The InChIKey is NIONIUVNLRHLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-8(7-12(15)9(2)14)10-5-3-4-6-11(10)13/h3-6,8-9,12,14-15H,7H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)hexane-2,3-diol?
5-(2-chlorophenyl)hexane-2,3-diol has a molecular weight of 228.72 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)hexane-2,3-diol is sourced from PubChem (CID 83924274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).