1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol

C18H22Cl2O — CID 115801925

IUPAC1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22Cl2O/c19-15-1-2-16(20)12(8-15)9-17(21)18-13-4-10-3-11(6-13)7-14(18)5-10/h1-2,8,10-11,13-14,17-18,21H,3-7,9H2
InChIKeyALVOMUCXVYCSMG-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.97
Rot. Bonds3

About 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol

1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 115801925) has the molecular formula C18H22Cl2O and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID115801925
Molecular FormulaC18H22Cl2O
Molecular Weight325.28 g/mol
Exact Mass324.10
IUPAC Name1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22Cl2O/c19-15-1-2-16(20)12(8-15)9-17(21)18-13-4-10-3-11(6-13)7-14(18)5-10/h1-2,8,10-11,13-14,17-18,21H,3-7,9H2
InChIKeyALVOMUCXVYCSMG-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-(2,6-dichlorophenyl)ethanol
CID 115782445
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801998
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
[2-(2,5-dichlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235041

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol (CID 115801925) is 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is ALVOMUCXVYCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2O/c19-15-1-2-16(20)12(8-15)9-17(21)18-13-4-10-3-11(6-13)7-14(18)5-10/h1-2,8,10-11,13-14,17-18,21H,3-7,9H2.
What are the key properties of 1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol?
1-(2-adamantyl)-2-(2,5-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-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115801925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).