7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol

C9H9BrO3 — CID 104831143

IUPAC7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol
SMILESCOc1cc(Br)c2c(c1)C(O)CO2
InChIInChI=1S/C9H9BrO3/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,11H,4H2,1H3
InChIKeyNYHMKKGZKOJEBF-UHFFFAOYSA-N
MW245.07 g/mol
LogP1.88
Rot. Bonds1

About 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol

7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 104831143) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol
PubChem CID104831143
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol
SMILESCOc1cc(Br)c2c(c1)C(O)CO2
InChIInChI=1S/C9H9BrO3/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,11H,4H2,1H3
InChIKeyNYHMKKGZKOJEBF-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol (CID 104831143) is 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol is COc1cc(Br)c2c(c1)C(O)CO2.
What is the InChIKey of 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is NYHMKKGZKOJEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,11H,4H2,1H3.
What are the key properties of 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol?
7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 245.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 104831143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).