1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol

C11H11BrO3 — CID 3269302

IUPAC1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol
SMILESCOc1cc(Br)cc2cc(C(C)O)oc12
InChIInChI=1S/C11H11BrO3/c1-6(13)9-4-7-3-8(12)5-10(14-2)11(7)15-9/h3-6,13H,1-2H3
InChIKeyGYBIEFSFMJAIKX-UHFFFAOYSA-N
MW271.11 g/mol
LogP3.26
Rot. Bonds2

About 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol

1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol (PubChem CID 3269302) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol
PubChem CID3269302
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol
SMILESCOc1cc(Br)cc2cc(C(C)O)oc12
InChIInChI=1S/C11H11BrO3/c1-6(13)9-4-7-3-8(12)5-10(14-2)11(7)15-9/h3-6,13H,1-2H3
InChIKeyGYBIEFSFMJAIKX-UHFFFAOYSA-N
XLogP3.26
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 735247
CID 735247
CID 3358971
CID 3358971
CID 118731479
CID 118731479
CID 2388825
CID 2388825
CID 118731475
CID 118731475
CID 118731478
CID 118731478
CID 118731484
CID 118731484
CID 3067860
CID 3067860
CID 735184
CID 735184
CID 736202
CID 736202
CID 118731481
CID 118731481
CID 46183064
CID 46183064

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol (CID 3269302) is 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol is COc1cc(Br)cc2cc(C(C)O)oc12.
What is the InChIKey of 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol?
The InChIKey is GYBIEFSFMJAIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-6(13)9-4-7-3-8(12)5-10(14-2)11(7)15-9/h3-6,13H,1-2H3.
What are the key properties of 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol?
1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol has a molecular weight of 271.11 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 3269302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).