methyl (2S)-2-(2-methoxyphenyl)propanoate

C11H14O3 — CID 12867082

IUPACmethyl (2S)-2-(2-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C11H14O3/c1-8(11(12)14-3)9-6-4-5-7-10(9)13-2/h4-8H,1-3H3/t8-/m0/s1
InChIKeyDPEYNDLASJASLN-QMMMGPOBSA-N
MW194.23 g/mol
LogP1.97
Rot. Bonds3

About methyl (2S)-2-(2-methoxyphenyl)propanoate

methyl (2S)-2-(2-methoxyphenyl)propanoate (PubChem CID 12867082) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2S)-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-methoxyphenyl)propanoate
PubChem CID12867082
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (2S)-2-(2-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C11H14O3/c1-8(11(12)14-3)9-6-4-5-7-10(9)13-2/h4-8H,1-3H3/t8-/m0/s1
InChIKeyDPEYNDLASJASLN-QMMMGPOBSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
benzhydryl (2S)-2-(2-methoxyphenyl)propanoate
CID 156776599
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate
CID 134922138
methyl 2-(2-acetamidophenyl)propanoate
CID 15064955

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-methoxyphenyl)propanoate?
The IUPAC name of methyl (2S)-2-(2-methoxyphenyl)propanoate (CID 12867082) is methyl (2S)-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-(2-methoxyphenyl)propanoate is COC(=O)[C@@H](C)c1ccccc1OC.
What is the InChIKey of methyl (2S)-2-(2-methoxyphenyl)propanoate?
The InChIKey is DPEYNDLASJASLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(11(12)14-3)9-6-4-5-7-10(9)13-2/h4-8H,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(2-methoxyphenyl)propanoate?
methyl (2S)-2-(2-methoxyphenyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 12867082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).