methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate

C12H14O7 — CID 117428591

IUPACmethyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(C(O)C(=O)OC)c(O)cc1OC
InChIInChI=1S/C12H14O7/c1-17-9-5-8(13)6(10(14)12(16)19-3)4-7(9)11(15)18-2/h4-5,10,13-14H,1-3H3
InChIKeyZPGIOSJFASYHJL-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.39
Rot. Bonds4

About methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate

methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate (PubChem CID 117428591) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
PubChem CID117428591
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Namemethyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(C(O)C(=O)OC)c(O)cc1OC
InChIInChI=1S/C12H14O7/c1-17-9-5-8(13)6(10(14)12(16)19-3)4-7(9)11(15)18-2/h4-5,10,13-14H,1-3H3
InChIKeyZPGIOSJFASYHJL-UHFFFAOYSA-N
XLogP0.39
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
2-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)propanoic acid
CID 117388428
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
CID 117352583
methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
CID 117325036
methyl 2-hydroxy-2-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)acetate
CID 117378924
methyl 2,4-dimethoxy-5-sulfamoylbenzoate
CID 63840880
methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
CID 117417003
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
CID 117443960
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate?
The IUPAC name of methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate (CID 117428591) is methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate is COC(=O)c1cc(C(O)C(=O)OC)c(O)cc1OC.
What is the InChIKey of methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate?
The InChIKey is ZPGIOSJFASYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O7/c1-17-9-5-8(13)6(10(14)12(16)19-3)4-7(9)11(15)18-2/h4-5,10,13-14H,1-3H3.
What are the key properties of methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate?
methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate has a molecular weight of 270.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate is sourced from PubChem (CID 117428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).