methyl 7-methoxy-1,3-benzodioxole-4-carboxylate

C10H10O5 — CID 19967040

IUPACmethyl 7-methoxy-1,3-benzodioxole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2c1OCO2
InChIInChI=1S/C10H10O5/c1-12-7-4-3-6(10(11)13-2)8-9(7)15-5-14-8/h3-4H,5H2,1-2H3
InChIKeyINTJVRIGDKZOJI-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.21
Rot. Bonds2

About methyl 7-methoxy-1,3-benzodioxole-4-carboxylate

methyl 7-methoxy-1,3-benzodioxole-4-carboxylate (PubChem CID 19967040) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is methyl 7-methoxy-1,3-benzodioxole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1,3-benzodioxole-4-carboxylate
PubChem CID19967040
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Namemethyl 7-methoxy-1,3-benzodioxole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2c1OCO2
InChIInChI=1S/C10H10O5/c1-12-7-4-3-6(10(11)13-2)8-9(7)15-5-14-8/h3-4H,5H2,1-2H3
InChIKeyINTJVRIGDKZOJI-UHFFFAOYSA-N
XLogP1.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6'-methoxyspiro[1,3-dithiane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-carboxylate
CID 59286717
3,3-diethyloxetane;methyl 2,3-dihydroxy-4-methoxybenzoate;methyl 6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-carboxylate
CID 158247613
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603
methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 175675443
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate
CID 22734147
methyl 2-[(7-methoxy-1,3-benzodioxol-4-yl)methylidene]-3-oxobutanoate
CID 57301412
methyl 2-methoxy-4-[2-[6-[2-(3-methoxy-4-methoxycarbonylphenyl)ethynyl]-1,3-benzodioxol-5-yl]ethynyl]benzoate
CID 170459720
3,5-dichloro-4-methylpyridine;2-(3,5-dichloro-4-pyridinyl)-1-(6'-methoxyspiro[1,3-dioxane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-yl)ethanone;methyl 6'-methoxyspiro[1,3-dioxane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-carboxylate
CID 158154664
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1,3-benzodioxole-4-carboxylate?
The IUPAC name of methyl 7-methoxy-1,3-benzodioxole-4-carboxylate (CID 19967040) is methyl 7-methoxy-1,3-benzodioxole-4-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1,3-benzodioxole-4-carboxylate?
The canonical SMILES for methyl 7-methoxy-1,3-benzodioxole-4-carboxylate is COC(=O)c1ccc(OC)c2c1OCO2.
What is the InChIKey of methyl 7-methoxy-1,3-benzodioxole-4-carboxylate?
The InChIKey is INTJVRIGDKZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-12-7-4-3-6(10(11)13-2)8-9(7)15-5-14-8/h3-4H,5H2,1-2H3.
What are the key properties of methyl 7-methoxy-1,3-benzodioxole-4-carboxylate?
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate has a molecular weight of 210.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1,3-benzodioxole-4-carboxylate is sourced from PubChem (CID 19967040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).