methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate

C11H9BrO4 — CID 165469253

IUPACmethyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2c(Br)cc(OC)cc12
InChIInChI=1S/C11H9BrO4/c1-14-6-3-7-8(11(13)15-2)5-16-10(7)9(12)4-6/h3-5H,1-2H3
InChIKeyCXMDNWUTIQEHHX-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.99
Rot. Bonds2

About methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate

methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate (PubChem CID 165469253) has the molecular formula C11H9BrO4 and a molecular weight of 285.09 g/mol. Its IUPAC name is methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate
PubChem CID165469253
Molecular FormulaC11H9BrO4
Molecular Weight285.09 g/mol
Exact Mass283.97
IUPAC Namemethyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2c(Br)cc(OC)cc12
InChIInChI=1S/C11H9BrO4/c1-14-6-3-7-8(11(13)15-2)5-16-10(7)9(12)4-6/h3-5H,1-2H3
InChIKeyCXMDNWUTIQEHHX-UHFFFAOYSA-N
XLogP2.99
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-bromo-3-methyl-1-benzofuran-5-carboxylate
CID 139561433
methyl 3-bromo-2-cyano-5-methoxybenzoate
CID 131390372
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
(NZ)-N-[1-(5-methoxy-7-methyl-1-benzofuran-3-yl)ethylidene]hydroxylamine
CID 5407554
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 6,8-dimethyl-4-oxochromene-3-carboxylate
CID 170871809
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-[[amino-(diaminomethylideneamino)methylidene]amino]-3-bromo-5-methoxybenzoate
CID 168605577
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate (CID 165469253) is methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate is COC(=O)c1coc2c(Br)cc(OC)cc12.
What is the InChIKey of methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate?
The InChIKey is CXMDNWUTIQEHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO4/c1-14-6-3-7-8(11(13)15-2)5-16-10(7)9(12)4-6/h3-5H,1-2H3.
What are the key properties of methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate?
methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate has a molecular weight of 285.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 165469253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).