2-adamantyl-(2,3-dichlorophenyl)methanol

C17H20Cl2O — CID 115792955

IUPAC2-adamantyl-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20Cl2O/c18-14-3-1-2-13(16(14)19)17(20)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15,17,20H,4-8H2
InChIKeyNHLNUPISJGBNML-UHFFFAOYSA-N
MW311.25 g/mol
LogP5.10
Rot. Bonds2

About 2-adamantyl-(2,3-dichlorophenyl)methanol

2-adamantyl-(2,3-dichlorophenyl)methanol (PubChem CID 115792955) has the molecular formula C17H20Cl2O and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-adamantyl-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name2-adamantyl-(2,3-dichlorophenyl)methanol
PubChem CID115792955
Molecular FormulaC17H20Cl2O
Molecular Weight311.25 g/mol
Exact Mass310.09
IUPAC Name2-adamantyl-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20Cl2O/c18-14-3-1-2-13(16(14)19)17(20)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15,17,20H,4-8H2
InChIKeyNHLNUPISJGBNML-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.25
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782445
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105093185
2-adamantyl-(2,3-dichlorophenyl)methanone
CID 114970494
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
2-adamantyl-(5-bromothiophen-2-yl)methanol
CID 81096245
1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801925
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
(2,3-dichlorophenyl)methanediamine
CID 139660481
1-(2,3-dichlorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63411078

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(2,3-dichlorophenyl)methanol?
The IUPAC name of 2-adamantyl-(2,3-dichlorophenyl)methanol (CID 115792955) is 2-adamantyl-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for 2-adamantyl-(2,3-dichlorophenyl)methanol?
The canonical SMILES for 2-adamantyl-(2,3-dichlorophenyl)methanol is OC(c1cccc(Cl)c1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-(2,3-dichlorophenyl)methanol?
The InChIKey is NHLNUPISJGBNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2O/c18-14-3-1-2-13(16(14)19)17(20)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15,17,20H,4-8H2.
What are the key properties of 2-adamantyl-(2,3-dichlorophenyl)methanol?
2-adamantyl-(2,3-dichlorophenyl)methanol has a molecular weight of 311.25 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 115792955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).