2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol

C15H11BrO3 — CID 117182804

IUPAC2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
SMILESOc1cccc2cc(COc3cccc(Br)c3)oc12
InChIInChI=1S/C15H11BrO3/c16-11-4-2-5-12(8-11)18-9-13-7-10-3-1-6-14(17)15(10)19-13/h1-8,17H,9H2
InChIKeyYQQKPQWZYMCXKL-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.48
Rot. Bonds3

About 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol

2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol (PubChem CID 117182804) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
PubChem CID117182804
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
SMILESOc1cccc2cc(COc3cccc(Br)c3)oc12
InChIInChI=1S/C15H11BrO3/c16-11-4-2-5-12(8-11)18-9-13-7-10-3-1-6-14(17)15(10)19-13/h1-8,17H,9H2
InChIKeyYQQKPQWZYMCXKL-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

2-[(4-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182831
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
2-(aminooxymethyl)-1-benzofuran-7-ol
CID 117197013
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080
3-[(6-bromo-1-benzofuran-2-yl)methoxy]pyridine
CID 117179394
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol (CID 117182804) is 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol is Oc1cccc2cc(COc3cccc(Br)c3)oc12.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol?
The InChIKey is YQQKPQWZYMCXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-11-4-2-5-12(8-11)18-9-13-7-10-3-1-6-14(17)15(10)19-13/h1-8,17H,9H2.
What are the key properties of 2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol?
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol 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-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol is sourced from PubChem (CID 117182804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).