methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate

C11H14O4 — CID 117244498

IUPACmethyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
SMILESCOC(=O)C(CO)c1ccccc1OC
InChIInChI=1S/C11H14O4/c1-14-10-6-4-3-5-8(10)9(7-12)11(13)15-2/h3-6,9,12H,7H2,1-2H3
InChIKeyURQZLUBMCHEEEP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.94
Rot. Bonds4

About methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate

methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate (PubChem CID 117244498) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
PubChem CID117244498
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
SMILESCOC(=O)C(CO)c1ccccc1OC
InChIInChI=1S/C11H14O4/c1-14-10-6-4-3-5-8(10)9(7-12)11(13)15-2/h3-6,9,12H,7H2,1-2H3
InChIKeyURQZLUBMCHEEEP-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
CID 18323567
methyl 2-(2-methylsulfonyloxyphenyl)butanoate
CID 87442000
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate (CID 117244498) is methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate is COC(=O)C(CO)c1ccccc1OC.
What is the InChIKey of methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate?
The InChIKey is URQZLUBMCHEEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-10-6-4-3-5-8(10)9(7-12)11(13)15-2/h3-6,9,12H,7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate?
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 117244498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).