2-(1-adamantyl)-1-(3-fluorophenyl)ethanol

C18H23FO — CID 114978539

IUPAC2-(1-adamantyl)-1-(3-fluorophenyl)ethanol
SMILESOC(CC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1
InChIInChI=1S/C18H23FO/c19-16-3-1-2-15(7-16)17(20)11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,17,20H,4-6,8-11H2
InChIKeyLCYMOVMBJOMEHZ-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.47
Rot. Bonds3

About 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol

2-(1-adamantyl)-1-(3-fluorophenyl)ethanol (PubChem CID 114978539) has the molecular formula C18H23FO and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(3-fluorophenyl)ethanol
PubChem CID114978539
Molecular FormulaC18H23FO
Molecular Weight274.38 g/mol
Exact Mass274.17
IUPAC Name2-(1-adamantyl)-1-(3-fluorophenyl)ethanol
SMILESOC(CC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1
InChIInChI=1S/C18H23FO/c19-16-3-1-2-15(7-16)17(20)11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,17,20H,4-6,8-11H2
InChIKeyLCYMOVMBJOMEHZ-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 115794145
2-(1-adamantyl)-1-(3-bromo-2-fluorophenyl)ethanol
CID 106648407
2-(1-adamantyl)-1-(5-bromo-2-fluorophenyl)ethanol
CID 115820684
(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol
CID 165040005
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
1-[2-bromo-2-(2,5-difluorophenyl)ethyl]adamantane
CID 79987420
[2-(1-adamantyl)-1-phenylethyl]hydrazine
CID 105283021
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-1-(3-fluorophenyl)ethanol
CID 166329799
N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
CID 90622955
3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 91658309
(1R)-3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 97293344
1-(3-fluorophenyl)hexan-1-ol
CID 62607026

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol (CID 114978539) is 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol is OC(CC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1.
What is the InChIKey of 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol?
The InChIKey is LCYMOVMBJOMEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO/c19-16-3-1-2-15(7-16)17(20)11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,17,20H,4-6,8-11H2.
What are the key properties of 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol?
2-(1-adamantyl)-1-(3-fluorophenyl)ethanol has a molecular weight of 274.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 114978539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).