3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid

C19H21FO4 — CID 22261453

IUPAC3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid
SMILESCC(C)Oc1cccc(CC(C(=O)O)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FO4/c1-12(2)24-16-5-3-4-13(10-16)11-17(19(22)23)18(21)14-6-8-15(20)9-7-14/h3-10,12,17-18,21H,11H2,1-2H3,(H,22,23)
InChIKeyHCDVEXOFFKWAPP-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.59
Rot. Bonds7

About 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid

3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid (PubChem CID 22261453) has the molecular formula C19H21FO4 and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid
PubChem CID22261453
Molecular FormulaC19H21FO4
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid
SMILESCC(C)Oc1cccc(CC(C(=O)O)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FO4/c1-12(2)24-16-5-3-4-13(10-16)11-17(19(22)23)18(21)14-6-8-15(20)9-7-14/h3-10,12,17-18,21H,11H2,1-2H3,(H,22,23)
InChIKeyHCDVEXOFFKWAPP-UHFFFAOYSA-N
XLogP3.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid (CID 22261453) is 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid is CC(C)Oc1cccc(CC(C(=O)O)C(O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid?
The InChIKey is HCDVEXOFFKWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO4/c1-12(2)24-16-5-3-4-13(10-16)11-17(19(22)23)18(21)14-6-8-15(20)9-7-14/h3-10,12,17-18,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid?
3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid has a molecular weight of 332.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-2-[(3-propan-2-yloxyphenyl)methyl]propanoic acid is sourced from PubChem (CID 22261453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).