2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid

C18H21FO3 — CID 57396247

IUPAC2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C(O)C1C3
InChIInChI=1S/C18H21FO3/c19-14-3-1-12(2-4-14)18(9-16(20)21)13-6-10-5-11(8-13)17(22)15(18)7-10/h1-4,10-11,13,15,17,22H,5-9H2,(H,20,21)
InChIKeyKOZSZPHYRMXVGE-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.97
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid

2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid (PubChem CID 57396247) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid
PubChem CID57396247
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C(O)C1C3
InChIInChI=1S/C18H21FO3/c19-14-3-1-12(2-4-14)18(9-16(20)21)13-6-10-5-11(8-13)17(22)15(18)7-10/h1-4,10-11,13,15,17,22H,5-9H2,(H,20,21)
InChIKeyKOZSZPHYRMXVGE-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid (CID 57396247) is 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3CC(C2)C(O)C1C3.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid?
The InChIKey is KOZSZPHYRMXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c19-14-3-1-12(2-4-14)18(9-16(20)21)13-6-10-5-11(8-13)17(22)15(18)7-10/h1-4,10-11,13,15,17,22H,5-9H2,(H,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid?
2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid has a molecular weight of 304.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-hydroxy-2-adamantyl]acetic acid is sourced from PubChem (CID 57396247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).