2-bromo-5,6-dimethoxy-1-benzofuran

C10H9BrO3 — CID 142737162

IUPAC2-bromo-5,6-dimethoxy-1-benzofuran
SMILESCOc1cc2cc(Br)oc2cc1OC
InChIInChI=1S/C10H9BrO3/c1-12-8-3-6-4-10(11)14-7(6)5-9(8)13-2/h3-5H,1-2H3
InChIKeyRZTWJWHTALGLNK-UHFFFAOYSA-N
MW257.08 g/mol
LogP3.21
Rot. Bonds2

About 2-bromo-5,6-dimethoxy-1-benzofuran

2-bromo-5,6-dimethoxy-1-benzofuran (PubChem CID 142737162) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 2-bromo-5,6-dimethoxy-1-benzofuran.

Molecular Properties

Compound Name2-bromo-5,6-dimethoxy-1-benzofuran
PubChem CID142737162
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name2-bromo-5,6-dimethoxy-1-benzofuran
SMILESCOc1cc2cc(Br)oc2cc1OC
InChIInChI=1S/C10H9BrO3/c1-12-8-3-6-4-10(11)14-7(6)5-9(8)13-2/h3-5H,1-2H3
InChIKeyRZTWJWHTALGLNK-UHFFFAOYSA-N
XLogP3.21
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
CID 83919931
5,6-dimethoxy-2-methyl-1-benzofuran
CID 14317742
6,7-dimethoxychromen-2-one
CID 159563577
N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide
CID 3069472
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-bromo-6-methoxy-2-oxochromene-3-carboxylic acid
CID 166609230
methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate
CID 71056255
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
3,7-dibromo-2-methoxy-8-methyldibenzofuran
CID 159921662
2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran
CID 11441952
6-iodo-5-methoxy-1-benzofuran-2-carbothioic S-acid
CID 163960356

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dimethoxy-1-benzofuran?
The IUPAC name of 2-bromo-5,6-dimethoxy-1-benzofuran (CID 142737162) is 2-bromo-5,6-dimethoxy-1-benzofuran.
What is the SMILES notation for 2-bromo-5,6-dimethoxy-1-benzofuran?
The canonical SMILES for 2-bromo-5,6-dimethoxy-1-benzofuran is COc1cc2cc(Br)oc2cc1OC.
What is the InChIKey of 2-bromo-5,6-dimethoxy-1-benzofuran?
The InChIKey is RZTWJWHTALGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c1-12-8-3-6-4-10(11)14-7(6)5-9(8)13-2/h3-5H,1-2H3.
What are the key properties of 2-bromo-5,6-dimethoxy-1-benzofuran?
2-bromo-5,6-dimethoxy-1-benzofuran has a molecular weight of 257.08 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dimethoxy-1-benzofuran is sourced from PubChem (CID 142737162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).