2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol

C15H11BrO3 — CID 117170357

IUPAC2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1coc2cccc(Br)c12
InChIInChI=1S/C15H11BrO3/c16-11-4-3-7-14-15(11)10(9-19-14)8-18-13-6-2-1-5-12(13)17/h1-7,9,17H,8H2
InChIKeyJXYCBAVAJHZGMI-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.48
Rot. Bonds3

About 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol

2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol (PubChem CID 117170357) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
PubChem CID117170357
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1coc2cccc(Br)c12
InChIInChI=1S/C15H11BrO3/c16-11-4-3-7-14-15(11)10(9-19-14)8-18-13-6-2-1-5-12(13)17/h1-7,9,17H,8H2
InChIKeyJXYCBAVAJHZGMI-UHFFFAOYSA-N
XLogP4.48
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
3-[(2-hydroxyphenoxy)methyl]-1-benzofuran-4-carboxylic acid
CID 117170500
(4-bromo-1-benzofuran-3-yl)methanol
CID 84690895
[3-[(2-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170223
3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine
CID 117174245
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194801
2-[(4-bromo-2-methylphenyl)methoxy]phenol
CID 117219489
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417
2-[(2-bromo-1,3-thiazol-5-yl)methoxy]phenol
CID 117192622
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol?
The IUPAC name of 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol (CID 117170357) is 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol is Oc1ccccc1OCc1coc2cccc(Br)c12.
What is the InChIKey of 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol?
The InChIKey is JXYCBAVAJHZGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-11-4-3-7-14-15(11)10(9-19-14)8-18-13-6-2-1-5-12(13)17/h1-7,9,17H,8H2.
What are the key properties of 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol?
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol has a molecular weight of 319.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol is sourced from PubChem (CID 117170357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).