methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate

C11H12O6 — CID 117352583

IUPACmethyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(O)c(OC)cc1C=O
InChIInChI=1S/C11H12O6/c1-16-9-3-6(5-12)7(4-8(9)13)10(14)11(15)17-2/h3-5,10,13-14H,1-2H3
InChIKeyYAXXKMVPCXEZIL-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate

methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117352583) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
PubChem CID117352583
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namemethyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(O)c(OC)cc1C=O
InChIInChI=1S/C11H12O6/c1-16-9-3-6(5-12)7(4-8(9)13)10(14)11(15)17-2/h3-5,10,13-14H,1-2H3
InChIKeyYAXXKMVPCXEZIL-UHFFFAOYSA-N
XLogP0.42
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818437
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
CID 117428591
5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
CID 117300229
3-(2-formyl-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870828
2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
CID 117298714
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
9H-fluoren-9-ylmethyl N-[4-(2-formyl-5-hydroxy-4-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887233
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate (CID 117352583) is methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(O)c(OC)cc1C=O.
What is the InChIKey of methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is YAXXKMVPCXEZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-16-9-3-6(5-12)7(4-8(9)13)10(14)11(15)17-2/h3-5,10,13-14H,1-2H3.
What are the key properties of methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 240.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117352583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).