methyl (2R)-2-(4-hydroxyphenoxy)propanoate

C10H12O4 — CID 2733752

IUPACmethyl (2R)-2-(4-hydroxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(O)cc1
InChIInChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1
InChIKeyUUYSCNGPNOYZMC-SSDOTTSWSA-N
MW196.20 g/mol
LogP1.33
Rot. Bonds3

About methyl (2R)-2-(4-hydroxyphenoxy)propanoate

methyl (2R)-2-(4-hydroxyphenoxy)propanoate (PubChem CID 2733752) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl (2R)-2-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-hydroxyphenoxy)propanoate
PubChem CID2733752
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl (2R)-2-(4-hydroxyphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(O)cc1
InChIInChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1
InChIKeyUUYSCNGPNOYZMC-SSDOTTSWSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-hydroxyphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(4-hydroxyphenoxy)propanoate (CID 2733752) is methyl (2R)-2-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(4-hydroxyphenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccc(O)cc1.
What is the InChIKey of methyl (2R)-2-(4-hydroxyphenoxy)propanoate?
The InChIKey is UUYSCNGPNOYZMC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(4-hydroxyphenoxy)propanoate?
methyl (2R)-2-(4-hydroxyphenoxy)propanoate has a molecular weight of 196.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 2733752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).