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

C11H14O4 — CID 103337931

IUPACmethyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(CO)cc1
InChIInChI=1S/C11H14O4/c1-8(11(13)14-2)15-10-5-3-9(7-12)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1
InChIKeyVUWCQQRTAPOQQJ-MRVPVSSYSA-N
MW210.23 g/mol
LogP1.12
Rot. Bonds4

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

methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate (PubChem CID 103337931) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
PubChem CID103337931
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(CO)cc1
InChIInChI=1S/C11H14O4/c1-8(11(13)14-2)15-10-5-3-9(7-12)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1
InChIKeyVUWCQQRTAPOQQJ-MRVPVSSYSA-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 (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
methyl (2S)-2-[4-(cyanomethyl)phenoxy]propanoate
CID 103337710
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
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
2-[4-(hydroxymethyl)phenoxy]-3-methylbutanoic acid
CID 60705654
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate?
The IUPAC name of methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate (CID 103337931) is methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate?
The canonical SMILES for methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate is COC(=O)[C@@H](C)Oc1ccc(CO)cc1.
What is the InChIKey of methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate?
The InChIKey is VUWCQQRTAPOQQJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(11(13)14-2)15-10-5-3-9(7-12)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate?
methyl (2R)-2-[4-(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 (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate is sourced from PubChem (CID 103337931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).