3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol

C15H11BrO3 — CID 117177645

IUPAC3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
SMILESOc1cccc(OCc2coc3cc(Br)ccc23)c1
InChIInChI=1S/C15H11BrO3/c16-11-4-5-14-10(9-19-15(14)6-11)8-18-13-3-1-2-12(17)7-13/h1-7,9,17H,8H2
InChIKeyZWMJAVFSCNDJKR-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.48
Rot. Bonds3

About 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol

3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol (PubChem CID 117177645) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
PubChem CID117177645
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
SMILESOc1cccc(OCc2coc3cc(Br)ccc23)c1
InChIInChI=1S/C15H11BrO3/c16-11-4-5-14-10(9-19-15(14)6-11)8-18-13-3-1-2-12(17)7-13/h1-7,9,17H,8H2
InChIKeyZWMJAVFSCNDJKR-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

3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173
3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine
CID 117177622
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-(6-bromo-1-benzofuran-3-yl)propan-2-one
CID 82623219
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
CID 117186731
3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
CID 117221199
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
3-(thiophen-2-ylmethoxy)phenol
CID 43143563
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol?
The IUPAC name of 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol (CID 117177645) is 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol.
What is the SMILES notation for 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol?
The canonical SMILES for 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol is Oc1cccc(OCc2coc3cc(Br)ccc23)c1.
What is the InChIKey of 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol?
The InChIKey is ZWMJAVFSCNDJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-11-4-5-14-10(9-19-15(14)6-11)8-18-13-3-1-2-12(17)7-13/h1-7,9,17H,8H2.
What are the key properties of 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol?
3-[(6-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 3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol is sourced from PubChem (CID 117177645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).