2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol

C19H25FO — CID 115794145

IUPAC2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25FO/c1-12-4-16(20)2-3-17(12)18(21)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,18,21H,5-11H2,1H3
InChIKeyNIQXHKXPRMOTGK-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.77
Rot. Bonds3

About 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol

2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 115794145) has the molecular formula C19H25FO and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID115794145
Molecular FormulaC19H25FO
Molecular Weight288.41 g/mol
Exact Mass288.19
IUPAC Name2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25FO/c1-12-4-16(20)2-3-17(12)18(21)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,18,21H,5-11H2,1H3
InChIKeyNIQXHKXPRMOTGK-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 115794145) is 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is NIQXHKXPRMOTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO/c1-12-4-16(20)2-3-17(12)18(21)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,18,21H,5-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 288.41 g/mol, XLogP of 4.77, 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-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 115794145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).