1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol

C12H14Cl2O — CID 64986831

IUPAC1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C12H14Cl2O/c13-10-5-2-6-11(14)9(10)7-12(15)8-3-1-4-8/h2,5-6,8,12,15H,1,3-4,7H2
InChIKeyZGQLJDZKZHJREM-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.70
Rot. Bonds3

About 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol

1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol (PubChem CID 64986831) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
PubChem CID64986831
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C12H14Cl2O/c13-10-5-2-6-11(14)9(10)7-12(15)8-3-1-4-8/h2,5-6,8,12,15H,1,3-4,7H2
InChIKeyZGQLJDZKZHJREM-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 65423546
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
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1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726
1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782445
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
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2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol (CID 64986831) is 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol is OC(Cc1c(Cl)cccc1Cl)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is ZGQLJDZKZHJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c13-10-5-2-6-11(14)9(10)7-12(15)8-3-1-4-8/h2,5-6,8,12,15H,1,3-4,7H2.
What are the key properties of 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 245.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 64986831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).