methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate

C11H14O4 — CID 103338014

IUPACmethyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
SMILESCOC(=O)[C@H](C)Oc1ccccc1CO
InChIInChI=1S/C11H14O4/c1-8(11(13)14-2)15-10-6-4-3-5-9(10)7-12/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyWIIROBJDGCNXCR-QMMMGPOBSA-N
MW210.23 g/mol
LogP1.12
Rot. Bonds4

About methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate

methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate (PubChem CID 103338014) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
PubChem CID103338014
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
SMILESCOC(=O)[C@H](C)Oc1ccccc1CO
InChIInChI=1S/C11H14O4/c1-8(11(13)14-2)15-10-6-4-3-5-9(10)7-12/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyWIIROBJDGCNXCR-QMMMGPOBSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
CID 63367072
4-[2-(hydroxymethyl)phenoxy]pentan-2-one
CID 64697349
diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate?
The IUPAC name of methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate (CID 103338014) is methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate.
What is the SMILES notation for methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate?
The canonical SMILES for methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate is COC(=O)[C@H](C)Oc1ccccc1CO.
What is the InChIKey of methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate?
The InChIKey is WIIROBJDGCNXCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(11(13)14-2)15-10-6-4-3-5-9(10)7-12/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate?
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate is sourced from PubChem (CID 103338014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).