4-bromo-3-(phenoxymethyl)-1-benzofuran

C15H11BrO2 — CID 117170327

IUPAC4-bromo-3-(phenoxymethyl)-1-benzofuran
SMILESBrc1cccc2occ(COc3ccccc3)c12
InChIInChI=1S/C15H11BrO2/c16-13-7-4-8-14-15(13)11(10-18-14)9-17-12-5-2-1-3-6-12/h1-8,10H,9H2
InChIKeyREJNSQHJHLORPL-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.77
Rot. Bonds3

About 4-bromo-3-(phenoxymethyl)-1-benzofuran

4-bromo-3-(phenoxymethyl)-1-benzofuran (PubChem CID 117170327) has the molecular formula C15H11BrO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-bromo-3-(phenoxymethyl)-1-benzofuran.

Molecular Properties

Compound Name4-bromo-3-(phenoxymethyl)-1-benzofuran
PubChem CID117170327
Molecular FormulaC15H11BrO2
Molecular Weight303.15 g/mol
Exact Mass301.99
IUPAC Name4-bromo-3-(phenoxymethyl)-1-benzofuran
SMILESBrc1cccc2occ(COc3ccccc3)c12
InChIInChI=1S/C15H11BrO2/c16-13-7-4-8-14-15(13)11(10-18-14)9-17-12-5-2-1-3-6-12/h1-8,10H,9H2
InChIKeyREJNSQHJHLORPL-UHFFFAOYSA-N
XLogP4.77
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
(4-bromo-1-benzofuran-3-yl)methanol
CID 84690895
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417
[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233
1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194801
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
CID 117170427
3-[(4-bromophenoxy)methyl]chromen-4-one
CID 166068093
3-[(2-hydroxyphenoxy)methyl]-1-benzofuran-4-carboxylic acid
CID 117170500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(phenoxymethyl)-1-benzofuran?
The IUPAC name of 4-bromo-3-(phenoxymethyl)-1-benzofuran (CID 117170327) is 4-bromo-3-(phenoxymethyl)-1-benzofuran.
What is the SMILES notation for 4-bromo-3-(phenoxymethyl)-1-benzofuran?
The canonical SMILES for 4-bromo-3-(phenoxymethyl)-1-benzofuran is Brc1cccc2occ(COc3ccccc3)c12.
What is the InChIKey of 4-bromo-3-(phenoxymethyl)-1-benzofuran?
The InChIKey is REJNSQHJHLORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-13-7-4-8-14-15(13)11(10-18-14)9-17-12-5-2-1-3-6-12/h1-8,10H,9H2.
What are the key properties of 4-bromo-3-(phenoxymethyl)-1-benzofuran?
4-bromo-3-(phenoxymethyl)-1-benzofuran has a molecular weight of 303.15 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(phenoxymethyl)-1-benzofuran is sourced from PubChem (CID 117170327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).