methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate

C17H17FO4 — CID 144861536

IUPACmethyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1F)OC(O)c1ccccc1
InChIInChI=1S/C17H17FO4/c1-21-17(20)15(11-13-9-5-6-10-14(13)18)22-16(19)12-7-3-2-4-8-12/h2-10,15-16,19H,11H2,1H3/t15-,16?/m1/s1
InChIKeyBPUBMIBKYGXFJK-AAFJCEBUSA-N
MW304.32 g/mol
LogP2.62
Rot. Bonds6

About methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate

methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate (PubChem CID 144861536) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate
PubChem CID144861536
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Namemethyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1F)OC(O)c1ccccc1
InChIInChI=1S/C17H17FO4/c1-21-17(20)15(11-13-9-5-6-10-14(13)18)22-16(19)12-7-3-2-4-8-12/h2-10,15-16,19H,11H2,1H3/t15-,16?/m1/s1
InChIKeyBPUBMIBKYGXFJK-AAFJCEBUSA-N
XLogP2.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl 2-cyano-3-(2-fluorophenyl)propanoate
CID 70700074
methyl 3-(2-iodophenyl)-2-phenylpropanoate
CID 10737594
3-(2-fluorophenyl)-2-propoxypropanoic acid
CID 133245291
methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
CID 64565029
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
CID 134271011
[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid
CID 163619235

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate?
The IUPAC name of methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate (CID 144861536) is methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate.
What is the SMILES notation for methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate?
The canonical SMILES for methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate is COC(=O)[C@@H](Cc1ccccc1F)OC(O)c1ccccc1.
What is the InChIKey of methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate?
The InChIKey is BPUBMIBKYGXFJK-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H17FO4/c1-21-17(20)15(11-13-9-5-6-10-14(13)18)22-16(19)12-7-3-2-4-8-12/h2-10,15-16,19H,11H2,1H3/t15-,16?/m1/s1.
What are the key properties of methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate?
methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate has a molecular weight of 304.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate is sourced from PubChem (CID 144861536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).