2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid

C18H21FO4 — CID 59337186

IUPAC2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3(O)CC1CC(O)(C2)C3
InChIInChI=1S/C18H21FO4/c19-14-3-1-11(2-4-14)18(9-15(20)21)12-5-16(22)7-13(18)8-17(23,6-12)10-16/h1-4,12-13,22-23H,5-10H2,(H,20,21)
InChIKeyMFOXXTKXNGXVHN-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.22
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid

2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid (PubChem CID 59337186) has the molecular formula C18H21FO4 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid
PubChem CID59337186
Molecular FormulaC18H21FO4
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3(O)CC1CC(O)(C2)C3
InChIInChI=1S/C18H21FO4/c19-14-3-1-11(2-4-14)18(9-15(20)21)12-5-16(22)7-13(18)8-17(23,6-12)10-16/h1-4,12-13,22-23H,5-10H2,(H,20,21)
InChIKeyMFOXXTKXNGXVHN-UHFFFAOYSA-N
XLogP2.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid (CID 59337186) is 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3(O)CC1CC(O)(C2)C3.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid?
The InChIKey is MFOXXTKXNGXVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO4/c19-14-3-1-11(2-4-14)18(9-15(20)21)12-5-16(22)7-13(18)8-17(23,6-12)10-16/h1-4,12-13,22-23H,5-10H2,(H,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid?
2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid has a molecular weight of 320.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5,7-dihydroxy-2-adamantyl]acetic acid is sourced from PubChem (CID 59337186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).