2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid

C18H21FO3 — CID 57396248

IUPAC2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C18H21FO3/c19-15-3-1-12(2-4-15)18(10-16(20)21)13-5-11-6-14(18)9-17(22,7-11)8-13/h1-4,11,13-14,22H,5-10H2,(H,20,21)
InChIKeyDIRQXAMRAFQSMR-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.11
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid

2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid (PubChem CID 57396248) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid
PubChem CID57396248
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C18H21FO3/c19-15-3-1-12(2-4-15)18(10-16(20)21)13-5-11-6-14(18)9-17(22,7-11)8-13/h1-4,11,13-14,22H,5-10H2,(H,20,21)
InChIKeyDIRQXAMRAFQSMR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid (CID 57396248) is 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid?
The InChIKey is DIRQXAMRAFQSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c19-15-3-1-12(2-4-15)18(10-16(20)21)13-5-11-6-14(18)9-17(22,7-11)8-13/h1-4,11,13-14,22H,5-10H2,(H,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid?
2-[2-(4-fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid has a molecular weight of 304.36 g/mol, XLogP of 3.11, 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)-5-hydroxy-2-adamantyl]acetic acid is sourced from PubChem (CID 57396248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).