methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate

C12H16O4 — CID 107708333

IUPACmethyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(CCO)cc1
InChIInChI=1S/C12H16O4/c1-9(12(14)15-2)16-11-5-3-10(4-6-11)7-8-13/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyZPFJMNNQAZWBJV-SECBINFHSA-N
MW224.26 g/mol
LogP1.16
Rot. Bonds5

About methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate

methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate (PubChem CID 107708333) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
PubChem CID107708333
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(CCO)cc1
InChIInChI=1S/C12H16O4/c1-9(12(14)15-2)16-11-5-3-10(4-6-11)7-8-13/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyZPFJMNNQAZWBJV-SECBINFHSA-N
XLogP1.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
methyl (2S)-2-[4-(cyanomethyl)phenoxy]propanoate
CID 103337710
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
methyl 2-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propanoate
CID 19901396
methyl 2-[4-[5-(4-undecylphenyl)pyrimidin-2-yl]phenoxy]propanoate
CID 19901429
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
CID 107708897
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate?
The IUPAC name of methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate (CID 107708333) is methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate?
The canonical SMILES for methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate is COC(=O)[C@@H](C)Oc1ccc(CCO)cc1.
What is the InChIKey of methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate?
The InChIKey is ZPFJMNNQAZWBJV-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(12(14)15-2)16-11-5-3-10(4-6-11)7-8-13/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate?
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate is sourced from PubChem (CID 107708333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).