methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate

C12H16O5 — CID 97170688

IUPACmethyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H16O5/c1-8(12(13)16-4)17-11-6-9(14-2)5-10(7-11)15-3/h5-8H,1-4H3/t8-/m0/s1
InChIKeyHXNVUMPLOOIKQV-QMMMGPOBSA-N
MW240.25 g/mol
LogP1.64
Rot. Bonds5

About methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate

methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate (PubChem CID 97170688) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
PubChem CID97170688
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namemethyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H16O5/c1-8(12(13)16-4)17-11-6-9(14-2)5-10(7-11)15-3/h5-8H,1-4H3/t8-/m0/s1
InChIKeyHXNVUMPLOOIKQV-QMMMGPOBSA-N
XLogP1.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
CID 103338197
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methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
CID 154610153
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
methyl 2-(3-amino-4-fluorophenoxy)propanoate
CID 66717597
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
methyl (2R)-2-(3-amino-4-fluorophenoxy)propanoate
CID 170783565
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate?
The IUPAC name of methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate (CID 97170688) is methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate is COC(=O)[C@H](C)Oc1cc(OC)cc(OC)c1.
What is the InChIKey of methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate?
The InChIKey is HXNVUMPLOOIKQV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(12(13)16-4)17-11-6-9(14-2)5-10(7-11)15-3/h5-8H,1-4H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate?
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate has a molecular weight of 240.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate is sourced from PubChem (CID 97170688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).