3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol

C14H11Br2NO2 — CID 107596905

IUPAC3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1c(Br)cccc1Br
InChIInChI=1S/C14H11Br2NO2/c15-10-2-1-3-11(16)14(10)17-12-7-19-13-6-8(18)4-5-9(12)13/h1-6,12,17-18H,7H2
InChIKeyZYANANSQOPNYIE-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.46
Rot. Bonds2

About 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 107596905) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID107596905
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1c(Br)cccc1Br
InChIInChI=1S/C14H11Br2NO2/c15-10-2-1-3-11(16)14(10)17-12-7-19-13-6-8(18)4-5-9(12)13/h1-6,12,17-18H,7H2
InChIKeyZYANANSQOPNYIE-UHFFFAOYSA-N
XLogP4.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194315
3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194202
3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 60924790
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(4-bromo-2-nitroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43746630
3-(2-fluoro-6-nitroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 81305960
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-(5-chloro-2-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43189473
3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43740842
2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
CID 43724199

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 107596905) is 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2Nc1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is ZYANANSQOPNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-10-2-1-3-11(16)14(10)17-12-7-19-13-6-8(18)4-5-9(12)13/h1-6,12,17-18H,7H2.
What are the key properties of 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 385.06 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 107596905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).