methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate

C13H17FO3 — CID 62393286

IUPACmethyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
SMILESCCC(O)(c1ccc(F)cc1)C(C)C(=O)OC
InChIInChI=1S/C13H17FO3/c1-4-13(16,9(2)12(15)17-3)10-5-7-11(14)8-6-10/h5-9,16H,4H2,1-3H3
InChIKeyRNNPRDOJYZVZSE-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.23
Rot. Bonds4

About methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate

methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate (PubChem CID 62393286) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
PubChem CID62393286
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Namemethyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
SMILESCCC(O)(c1ccc(F)cc1)C(C)C(=O)OC
InChIInChI=1S/C13H17FO3/c1-4-13(16,9(2)12(15)17-3)10-5-7-11(14)8-6-10/h5-9,16H,4H2,1-3H3
InChIKeyRNNPRDOJYZVZSE-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoate
CID 62393285
3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
CID 52983755
methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 62396805
ethyl 3-(4-fluorophenyl)-3-(methylamino)butanoate
CID 65236908
methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
[(2S)-1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] propanoate
CID 155110586
methyl 3-(3-chloro-4-fluorophenyl)-3-hydroxy-2-methylbutanoate
CID 55071407

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate (CID 62393286) is methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate is CCC(O)(c1ccc(F)cc1)C(C)C(=O)OC.
What is the InChIKey of methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate?
The InChIKey is RNNPRDOJYZVZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-13(16,9(2)12(15)17-3)10-5-7-11(14)8-6-10/h5-9,16H,4H2,1-3H3.
What are the key properties of methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate?
methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate has a molecular weight of 240.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate is sourced from PubChem (CID 62393286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).