(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid

C17H17FO4 — CID 10063602

IUPAC(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid
SMILESCC[C@@](O)(C(=O)O)c1cc(F)cc(OCc2ccccc2)c1
InChIInChI=1S/C17H17FO4/c1-2-17(21,16(19)20)13-8-14(18)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10,21H,2,11H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyIZSOHLJRGPFBJH-KRWDZBQOSA-N
MW304.32 g/mol
LogP3.09
Rot. Bonds6

About (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid

(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid (PubChem CID 10063602) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid
PubChem CID10063602
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid
SMILESCC[C@@](O)(C(=O)O)c1cc(F)cc(OCc2ccccc2)c1
InChIInChI=1S/C17H17FO4/c1-2-17(21,16(19)20)13-8-14(18)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10,21H,2,11H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyIZSOHLJRGPFBJH-KRWDZBQOSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
1-(3-fluoro-5-phenylmethoxyphenyl)-1-pyrazol-1-ylpropan-1-ol
CID 67818568
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid (CID 10063602) is (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid is CC[C@@](O)(C(=O)O)c1cc(F)cc(OCc2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid?
The InChIKey is IZSOHLJRGPFBJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FO4/c1-2-17(21,16(19)20)13-8-14(18)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10,21H,2,11H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid?
(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid has a molecular weight of 304.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 10063602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).