4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol

C14H9BrO3 — CID 118731476

IUPAC4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
SMILESOc1cc(Br)c(-c2cc3ccccc3o2)cc1O
InChIInChI=1S/C14H9BrO3/c15-10-7-12(17)11(16)6-9(10)14-5-8-3-1-2-4-13(8)18-14/h1-7,16-17H
InChIKeyQJGWPGVYPADVOS-UHFFFAOYSA-N
MW305.13 g/mol
LogP4.27
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol

4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol (PubChem CID 118731476) has the molecular formula C14H9BrO3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
PubChem CID118731476
Molecular FormulaC14H9BrO3
Molecular Weight305.13 g/mol
Exact Mass303.97
IUPAC Name4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
SMILESOc1cc(Br)c(-c2cc3ccccc3o2)cc1O
InChIInChI=1S/C14H9BrO3/c15-10-7-12(17)11(16)6-9(10)14-5-8-3-1-2-4-13(8)18-14/h1-7,16-17H
InChIKeyQJGWPGVYPADVOS-UHFFFAOYSA-N
XLogP4.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
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3-(2-hydroxyphenyl)chromen-2-one
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9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
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2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol
CID 172515748
5-(1-benzofuran-2-yl)-3-tert-butyl-2-hydroxy-6-methylbenzoic acid
CID 11962643
2-pyren-1-yl-1-benzofuran
CID 59390386
2-(2-ethenylphenyl)-1-benzofuran
CID 173437149
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
[4-(1-benzofuran-2-yl)-8-chloroisoquinolin-6-yl]methanol;(4-bromo-8-chloroisoquinolin-6-yl)methanol
CID 157096320
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol?
The IUPAC name of 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol (CID 118731476) is 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol?
The canonical SMILES for 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol is Oc1cc(Br)c(-c2cc3ccccc3o2)cc1O.
What is the InChIKey of 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol?
The InChIKey is QJGWPGVYPADVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO3/c15-10-7-12(17)11(16)6-9(10)14-5-8-3-1-2-4-13(8)18-14/h1-7,16-17H.
What are the key properties of 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol?
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol has a molecular weight of 305.13 g/mol, XLogP of 4.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol is sourced from PubChem (CID 118731476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).