methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate

C12H16O5 — CID 135189064

IUPACmethyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate
SMILESCOC[C@H](O)c1ccc(C(=O)OC)c(OC)c1
InChIInChI=1S/C12H16O5/c1-15-7-10(13)8-4-5-9(12(14)17-3)11(6-8)16-2/h4-6,10,13H,7H2,1-3H3/t10-/m0/s1
InChIKeyZUGLFXIHYCYBGC-JTQLQIEISA-N
MW240.25 g/mol
LogP1.16
Rot. Bonds5

About methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate

methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate (PubChem CID 135189064) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate
PubChem CID135189064
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namemethyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate
SMILESCOC[C@H](O)c1ccc(C(=O)OC)c(OC)c1
InChIInChI=1S/C12H16O5/c1-15-7-10(13)8-4-5-9(12(14)17-3)11(6-8)16-2/h4-6,10,13H,7H2,1-3H3/t10-/m0/s1
InChIKeyZUGLFXIHYCYBGC-JTQLQIEISA-N
XLogP1.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-butan-2-yl-2-methoxybenzoate
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ethyl 2-methoxy-4-propan-2-ylbenzoate
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2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
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[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
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CID 171840730
CID 171840730
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
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2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate (CID 135189064) is methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate is COC[C@H](O)c1ccc(C(=O)OC)c(OC)c1.
What is the InChIKey of methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate?
The InChIKey is ZUGLFXIHYCYBGC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16O5/c1-15-7-10(13)8-4-5-9(12(14)17-3)11(6-8)16-2/h4-6,10,13H,7H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate?
methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate has a molecular weight of 240.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate is sourced from PubChem (CID 135189064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).