3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol

C12H11BrO3 — CID 43143276

IUPAC3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
SMILESCc1c(O)cccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H11BrO3/c1-8-10(14)3-2-4-11(8)15-7-9-5-6-12(13)16-9/h2-6,14H,7H2,1H3
InChIKeyATJUJTFVYYXGRH-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.64
Rot. Bonds3

About 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol

3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol (PubChem CID 43143276) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
PubChem CID43143276
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
SMILESCc1c(O)cccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H11BrO3/c1-8-10(14)3-2-4-11(8)15-7-9-5-6-12(13)16-9/h2-6,14H,7H2,1H3
InChIKeyATJUJTFVYYXGRH-UHFFFAOYSA-N
XLogP3.64
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan
CID 83057556
2-methyl-3-(1,2-oxazol-5-ylmethoxy)phenol
CID 43143231
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
2-[(5-methylfuran-2-yl)methoxy]phenol
CID 43143474
2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile
CID 113277248
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
CID 113281408
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485972
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
CID 61379285

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol?
The IUPAC name of 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol (CID 43143276) is 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol is Cc1c(O)cccc1OCc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol?
The InChIKey is ATJUJTFVYYXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-8-10(14)3-2-4-11(8)15-7-9-5-6-12(13)16-9/h2-6,14H,7H2,1H3.
What are the key properties of 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol?
3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol has a molecular weight of 283.12 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol is sourced from PubChem (CID 43143276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).