methyl 5-methoxy-1-benzoselenophene-3-carboxylate

C11H10O3Se — CID 15503768

IUPACmethyl 5-methoxy-1-benzoselenophene-3-carboxylate
SMILESCOC(=O)c1c[se]c2ccc(OC)cc12
InChIInChI=1S/C11H10O3Se/c1-13-7-3-4-10-8(5-7)9(6-15-10)11(12)14-2/h3-6H,1-2H3
InChIKeyRSOVCUIOQZMWKY-UHFFFAOYSA-N
MW269.16 g/mol
LogP1.69
Rot. Bonds2

About methyl 5-methoxy-1-benzoselenophene-3-carboxylate

methyl 5-methoxy-1-benzoselenophene-3-carboxylate (PubChem CID 15503768) has the molecular formula C11H10O3Se and a molecular weight of 269.16 g/mol. Its IUPAC name is methyl 5-methoxy-1-benzoselenophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1-benzoselenophene-3-carboxylate
PubChem CID15503768
Molecular FormulaC11H10O3Se
Molecular Weight269.16 g/mol
Exact Mass269.98
IUPAC Namemethyl 5-methoxy-1-benzoselenophene-3-carboxylate
SMILESCOC(=O)c1c[se]c2ccc(OC)cc12
InChIInChI=1S/C11H10O3Se/c1-13-7-3-4-10-8(5-7)9(6-15-10)11(12)14-2/h3-6H,1-2H3
InChIKeyRSOVCUIOQZMWKY-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-methoxybenzoate
CID 13052275
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate
CID 631298
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 5-methoxy-1,2-benzoxazole-3-carboxylate
CID 84820117
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate
CID 164915529

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1-benzoselenophene-3-carboxylate?
The IUPAC name of methyl 5-methoxy-1-benzoselenophene-3-carboxylate (CID 15503768) is methyl 5-methoxy-1-benzoselenophene-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1-benzoselenophene-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-1-benzoselenophene-3-carboxylate is COC(=O)c1c[se]c2ccc(OC)cc12.
What is the InChIKey of methyl 5-methoxy-1-benzoselenophene-3-carboxylate?
The InChIKey is RSOVCUIOQZMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3Se/c1-13-7-3-4-10-8(5-7)9(6-15-10)11(12)14-2/h3-6H,1-2H3.
What are the key properties of methyl 5-methoxy-1-benzoselenophene-3-carboxylate?
methyl 5-methoxy-1-benzoselenophene-3-carboxylate has a molecular weight of 269.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1-benzoselenophene-3-carboxylate is sourced from PubChem (CID 15503768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).