methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate

C12H14O5 — CID 11528816

IUPACmethyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
SMILESCOC(=O)Cc1c(C=O)ccc(OC)c1OC
InChIInChI=1S/C12H14O5/c1-15-10-5-4-8(7-13)9(12(10)17-3)6-11(14)16-2/h4-5,7H,6H2,1-3H3
InChIKeyVBGQHKOYPYDOSL-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.23
Rot. Bonds5

About methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate

methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate (PubChem CID 11528816) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
PubChem CID11528816
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
SMILESCOC(=O)Cc1c(C=O)ccc(OC)c1OC
InChIInChI=1S/C12H14O5/c1-15-10-5-4-8(7-13)9(12(10)17-3)6-11(14)16-2/h4-5,7H,6H2,1-3H3
InChIKeyVBGQHKOYPYDOSL-UHFFFAOYSA-N
XLogP1.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-fluoro-3-formyl-2-methoxyphenyl)acetate
CID 171010529
prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate
CID 175155335
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
methyl 2-(3,6-diamino-2-methoxyphenyl)acetate
CID 171030798
(2-chloro-3-formyl-6-methoxyphenyl) acetate
CID 14450993
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020
(E)-1-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]pent-3-en-2-one
CID 161061474
azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide
CID 174556728
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
3-(3,4-diethyl-2-methoxyphenoxy)-3-oxopropanoic acid
CID 67244042
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate?
The IUPAC name of methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate (CID 11528816) is methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate is COC(=O)Cc1c(C=O)ccc(OC)c1OC.
What is the InChIKey of methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate?
The InChIKey is VBGQHKOYPYDOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-15-10-5-4-8(7-13)9(12(10)17-3)6-11(14)16-2/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate?
methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate has a molecular weight of 238.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate is sourced from PubChem (CID 11528816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).