2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid

C18H21FO3 — CID 24945402

IUPAC2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(C2)C3O
InChIInChI=1S/C18H21FO3/c19-15-3-1-12(2-4-15)18(9-16(20)21)13-5-10-6-14(18)8-11(7-13)17(10)22/h1-4,10-11,13-14,17,22H,5-9H2,(H,20,21)
InChIKeyYIGCUJGCSFULOT-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.97
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid

2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid (PubChem CID 24945402) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid
PubChem CID24945402
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(C2)C3O
InChIInChI=1S/C18H21FO3/c19-15-3-1-12(2-4-15)18(9-16(20)21)13-5-10-6-14(18)8-11(7-13)17(10)22/h1-4,10-11,13-14,17,22H,5-9H2,(H,20,21)
InChIKeyYIGCUJGCSFULOT-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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Related Compounds

3-Phenyl-1-adamantanecarboxylic acid
CID 37791
2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid
CID 1475852
2-(2-phenyl-2-adamantyl)acetic Acid
CID 3604343
2-[2-(2-Phenylethyl)-2-adamantyl]acetic acid
CID 24944723
2-[5-Fluoro-2-(4-fluorophenyl)-2-adamantyl]acetic acid
CID 24944725
2-(4-Fluorophenyl)adamantane-2-carboxylic acid
CID 24945154
2-(2-Benzyladamantan-2-yl)acetic acid
CID 24945155
2-[2-(3-Fluorophenyl)-2-adamantyl]acetic acid
CID 24945156
2-[9-(4-Fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid
CID 24945160
2-[2-(4-Methylphenyl)-2-adamantyl]acetic acid
CID 24945236
2-[2-(4-Fluorophenyl)-4-methoxy-2-bicyclo[2.2.2]octanyl]acetic acid
CID 24945241
2-[2-(4-Fluorophenyl)-5-methoxy-2-adamantyl]acetic acid
CID 24945403

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid (CID 24945402) is 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(C2)C3O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid?
The InChIKey is YIGCUJGCSFULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c19-15-3-1-12(2-4-15)18(9-16(20)21)13-5-10-6-14(18)8-11(7-13)17(10)22/h1-4,10-11,13-14,17,22H,5-9H2,(H,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-6-hydroxy-2-adamantyl]acetic acid?
2-[2-(4-fluorophenyl)-6-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)-6-hydroxy-2-adamantyl]acetic acid is sourced from PubChem (CID 24945402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).