methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate

C10H11FO3 — CID 39239966

IUPACmethyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO3/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3/t9-/m1/s1
InChIKeyOKWFDTMQPLAWLR-SECBINFHSA-N
MW198.19 g/mol
LogP0.90
Rot. Bonds3

About methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate

methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate (PubChem CID 39239966) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate
PubChem CID39239966
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO3/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3/t9-/m1/s1
InChIKeyOKWFDTMQPLAWLR-SECBINFHSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate (CID 39239966) is methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate is COC(=O)[C@H](O)Cc1ccc(F)cc1.
What is the InChIKey of methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate?
The InChIKey is OKWFDTMQPLAWLR-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate?
methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate has a molecular weight of 198.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(4-fluorophenyl)-2-hydroxypropanoate is sourced from PubChem (CID 39239966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).