2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan

C13H13BrO2 — CID 83057556

IUPAC2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan
SMILESCc1cccc(C)c1OCc1ccc(Br)o1
InChIInChI=1S/C13H13BrO2/c1-9-4-3-5-10(2)13(9)15-8-11-6-7-12(14)16-11/h3-7H,8H2,1-2H3
InChIKeyGQIXLIBSKFPHKG-UHFFFAOYSA-N
MW281.15 g/mol
LogP4.24
Rot. Bonds3

About 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan

2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan (PubChem CID 83057556) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan
PubChem CID83057556
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan
SMILESCc1cccc(C)c1OCc1ccc(Br)o1
InChIInChI=1S/C13H13BrO2/c1-9-4-3-5-10(2)13(9)15-8-11-6-7-12(14)16-11/h3-7H,8H2,1-2H3
InChIKeyGQIXLIBSKFPHKG-UHFFFAOYSA-N
XLogP4.24
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
CID 43143276
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485972
N-[(5-bromofuran-2-yl)methoxy]methanamine
CID 117126797
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 19333468
[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62484441
2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile
CID 113277248
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan?
The IUPAC name of 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan (CID 83057556) is 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan.
What is the SMILES notation for 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan?
The canonical SMILES for 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan is Cc1cccc(C)c1OCc1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan?
The InChIKey is GQIXLIBSKFPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-9-4-3-5-10(2)13(9)15-8-11-6-7-12(14)16-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan?
2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan has a molecular weight of 281.15 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2,6-dimethylphenoxy)methyl]furan is sourced from PubChem (CID 83057556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).