methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate

C12H15FO3 — CID 11379134

IUPACmethyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate
SMILESCOC(=O)C[C@@H](CCO)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-16-12(15)8-10(6-7-14)9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3/t10-/m1/s1
InChIKeyMNHJHRLVLCVXON-SNVBAGLBSA-N
MW226.25 g/mol
LogP1.85
Rot. Bonds5

About methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate

methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate (PubChem CID 11379134) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate
PubChem CID11379134
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Namemethyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate
SMILESCOC(=O)C[C@@H](CCO)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-16-12(15)8-10(6-7-14)9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3/t10-/m1/s1
InChIKeyMNHJHRLVLCVXON-SNVBAGLBSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
CID 89134987
CID 89134987
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
methyl 5-(4-fluorophenyl)-5-hydroxy-3-oxopentanoate
CID 53235616
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
CID 69407368
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440
methyl (3R)-3-(4-fluorophenyl)-3-isocyanatopropanoate
CID 7016788
methyl (3S)-3-(4-fluorophenyl)-3-(trifluoromethylsulfonylamino)propanoate
CID 166446318
methyl (3R)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118046253
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
methyl 3-phenylundecanoate
CID 608715

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate?
The IUPAC name of methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate (CID 11379134) is methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate.
What is the SMILES notation for methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate?
The canonical SMILES for methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate is COC(=O)C[C@@H](CCO)c1ccc(F)cc1.
What is the InChIKey of methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate?
The InChIKey is MNHJHRLVLCVXON-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15FO3/c1-16-12(15)8-10(6-7-14)9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate?
methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate has a molecular weight of 226.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-fluorophenyl)-5-hydroxypentanoate is sourced from PubChem (CID 11379134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).