3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid

C18H19FO3 — CID 13396585

IUPAC3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)C(O)(CC(=O)O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO3/c1-12(2)18(22,11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10,12,22H,11H2,1-2H3,(H,20,21)
InChIKeyNMFHEHRYTRSFNQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.81
Rot. Bonds5

About 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid

3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid (PubChem CID 13396585) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid
PubChem CID13396585
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)C(O)(CC(=O)O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO3/c1-12(2)18(22,11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10,12,22H,11H2,1-2H3,(H,20,21)
InChIKeyNMFHEHRYTRSFNQ-UHFFFAOYSA-N
XLogP3.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid (CID 13396585) is 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid is CC(C)C(O)(CC(=O)O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid?
The InChIKey is NMFHEHRYTRSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-12(2)18(22,11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10,12,22H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid?
3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid has a molecular weight of 302.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 13396585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).