1-(2,6-dichlorophenyl)pentane-2,3-diol

C11H14Cl2O2 — CID 103454648

IUPAC1-(2,6-dichlorophenyl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-2-10(14)11(15)6-7-8(12)4-3-5-9(7)13/h3-5,10-11,14-15H,2,6H2,1H3
InChIKeyWJOJGPIRQPQTAR-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.67
Rot. Bonds4

About 1-(2,6-dichlorophenyl)pentane-2,3-diol

1-(2,6-dichlorophenyl)pentane-2,3-diol (PubChem CID 103454648) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)pentane-2,3-diol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)pentane-2,3-diol
PubChem CID103454648
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name1-(2,6-dichlorophenyl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-2-10(14)11(15)6-7-8(12)4-3-5-9(7)13/h3-5,10-11,14-15H,2,6H2,1H3
InChIKeyWJOJGPIRQPQTAR-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanol
CID 55187735
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79061239
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064295

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)pentane-2,3-diol?
The IUPAC name of 1-(2,6-dichlorophenyl)pentane-2,3-diol (CID 103454648) is 1-(2,6-dichlorophenyl)pentane-2,3-diol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)pentane-2,3-diol?
The canonical SMILES for 1-(2,6-dichlorophenyl)pentane-2,3-diol is CCC(O)C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)pentane-2,3-diol?
The InChIKey is WJOJGPIRQPQTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-2-10(14)11(15)6-7-8(12)4-3-5-9(7)13/h3-5,10-11,14-15H,2,6H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)pentane-2,3-diol?
1-(2,6-dichlorophenyl)pentane-2,3-diol has a molecular weight of 249.14 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)pentane-2,3-diol is sourced from PubChem (CID 103454648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).