6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane

C12H17BrO5 — CID 22159432

IUPAC6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
SMILESCOCOCOC.Oc1cc2c(cc1Br)OCC2
InChIInChI=1S/C8H7BrO2.C4H10O3/c9-6-4-8-5(1-2-11-8)3-7(6)10;1-5-3-7-4-6-2/h3-4,10H,1-2H2;3-4H2,1-2H3
InChIKeyRZVTUHDMUUPASO-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.30
Rot. Bonds4

About 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane

6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane (PubChem CID 22159432) has the molecular formula C12H17BrO5 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
PubChem CID22159432
Molecular FormulaC12H17BrO5
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
SMILESCOCOCOC.Oc1cc2c(cc1Br)OCC2
InChIInChI=1S/C8H7BrO2.C4H10O3/c9-6-4-8-5(1-2-11-8)3-7(6)10;1-5-3-7-4-6-2/h3-4,10H,1-2H2;3-4H2,1-2H3
InChIKeyRZVTUHDMUUPASO-UHFFFAOYSA-N
XLogP2.30
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 24977225
2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane
CID 67671436
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
CID 82606137
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 83879252
ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 145375645
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenol
CID 104707410
N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
CID 153262456

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane?
The IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane (CID 22159432) is 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane.
What is the SMILES notation for 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane?
The canonical SMILES for 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane is COCOCOC.Oc1cc2c(cc1Br)OCC2.
What is the InChIKey of 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane?
The InChIKey is RZVTUHDMUUPASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2.C4H10O3/c9-6-4-8-5(1-2-11-8)3-7(6)10;1-5-3-7-4-6-2/h3-4,10H,1-2H2;3-4H2,1-2H3.
What are the key properties of 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane?
6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane has a molecular weight of 321.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane is sourced from PubChem (CID 22159432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).