3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid

C12H15FO3 — CID 52983755

IUPAC3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)C(O)(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-8(2)12(16,7-11(14)15)9-3-5-10(13)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,14,15)
InChIKeyRXAUWKKLCQIFCU-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid

3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid (PubChem CID 52983755) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
PubChem CID52983755
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)C(O)(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-8(2)12(16,7-11(14)15)9-3-5-10(13)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,14,15)
InChIKeyRXAUWKKLCQIFCU-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-hydroxybutanedioic acid
CID 150762531
3-(4-fluorophenyl)-3-(methylamino)butanoic acid
CID 65236553
methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
CID 62393286
4-cyano-4-(4-fluorophenyl)-5-methylhexanoic acid
CID 18759266
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213
1,1-bis(4-fluorophenyl)propane-1,2-diol
CID 117062920
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
2-[1-(4-fluorophenyl)propan-2-yl]butanedioic acid
CID 91127793
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
3-(2,5-difluorophenyl)-3-hydroxy-5-methylhexanoic acid
CID 82049628

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid (CID 52983755) is 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid is CC(C)C(O)(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid?
The InChIKey is RXAUWKKLCQIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(2)12(16,7-11(14)15)9-3-5-10(13)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid?
3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 52983755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).