1-(1-adamantyl)-2-(4-fluorophenyl)ethanol

C18H23FO — CID 63410783

IUPAC1-(1-adamantyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23FO/c19-16-3-1-12(2-4-16)8-17(20)18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,17,20H,5-11H2
InChIKeySPLBLTQUVYLQLF-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.95
Rot. Bonds3

About 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol

1-(1-adamantyl)-2-(4-fluorophenyl)ethanol (PubChem CID 63410783) has the molecular formula C18H23FO and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(4-fluorophenyl)ethanol
PubChem CID63410783
Molecular FormulaC18H23FO
Molecular Weight274.38 g/mol
Exact Mass274.17
IUPAC Name1-(1-adamantyl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23FO/c19-16-3-1-12(2-4-16)8-17(20)18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,17,20H,5-11H2
InChIKeySPLBLTQUVYLQLF-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol (CID 63410783) is 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is SPLBLTQUVYLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO/c19-16-3-1-12(2-4-16)8-17(20)18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,17,20H,5-11H2.
What are the key properties of 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol?
1-(1-adamantyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 274.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 63410783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).