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

C18H22Cl2O — CID 115782445

IUPAC1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22Cl2O/c19-15-2-1-3-16(20)14(15)9-17(21)18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,17-18,21H,4-9H2
InChIKeyICBGOGGJFVLLKX-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.97
Rot. Bonds3

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

1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 115782445) has the molecular formula C18H22Cl2O and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
PubChem CID115782445
Molecular FormulaC18H22Cl2O
Molecular Weight325.28 g/mol
Exact Mass324.10
IUPAC Name1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22Cl2O/c19-15-2-1-3-16(20)14(15)9-17(21)18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,17-18,21H,4-9H2
InChIKeyICBGOGGJFVLLKX-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801925
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-adamantyl-(2,3-dichlorophenyl)methanol
CID 115792955
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832340
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
CID 81099599
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]adamantane
CID 63518312
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol (CID 115782445) is 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol is OC(Cc1c(Cl)cccc1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is ICBGOGGJFVLLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2O/c19-15-2-1-3-16(20)14(15)9-17(21)18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,17-18,21H,4-9H2.
What are the key properties of 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol?
1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 325.28 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 115782445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).