1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol

C12H12Br2O3 — CID 79415822

IUPAC1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2c(Br)c(OC)cc(Br)c2o1
InChIInChI=1S/C12H12Br2O3/c1-3-8(15)9-4-6-11(14)10(16-2)5-7(13)12(6)17-9/h4-5,8,15H,3H2,1-2H3
InChIKeyULHUQPFLDHDORT-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.41
Rot. Bonds3

About 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol

1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol (PubChem CID 79415822) has the molecular formula C12H12Br2O3 and a molecular weight of 364.03 g/mol. Its IUPAC name is 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol
PubChem CID79415822
Molecular FormulaC12H12Br2O3
Molecular Weight364.03 g/mol
Exact Mass361.92
IUPAC Name1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2c(Br)c(OC)cc(Br)c2o1
InChIInChI=1S/C12H12Br2O3/c1-3-8(15)9-4-6-11(14)10(16-2)5-7(13)12(6)17-9/h4-5,8,15H,3H2,1-2H3
InChIKeyULHUQPFLDHDORT-UHFFFAOYSA-N
XLogP4.41
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol (CID 79415822) is 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol is CCC(O)c1cc2c(Br)c(OC)cc(Br)c2o1.
What is the InChIKey of 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is ULHUQPFLDHDORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2O3/c1-3-8(15)9-4-6-11(14)10(16-2)5-7(13)12(6)17-9/h4-5,8,15H,3H2,1-2H3.
What are the key properties of 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol?
1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 364.03 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 79415822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).