2-(4-bromophenyl)-3-(4-methylphenoxy)furan

C17H13BrO2 — CID 67711671

IUPAC2-(4-bromophenyl)-3-(4-methylphenoxy)furan
SMILESCc1ccc(Oc2ccoc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13BrO2/c1-12-2-8-15(9-3-12)20-16-10-11-19-17(16)13-4-6-14(18)7-5-13/h2-11H,1H3
InChIKeyMAWMKLDXQXHRTP-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.81
Rot. Bonds3

About 2-(4-bromophenyl)-3-(4-methylphenoxy)furan

2-(4-bromophenyl)-3-(4-methylphenoxy)furan (PubChem CID 67711671) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methylphenoxy)furan.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methylphenoxy)furan
PubChem CID67711671
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name2-(4-bromophenyl)-3-(4-methylphenoxy)furan
SMILESCc1ccc(Oc2ccoc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13BrO2/c1-12-2-8-15(9-3-12)20-16-10-11-19-17(16)13-4-6-14(18)7-5-13/h2-11H,1H3
InChIKeyMAWMKLDXQXHRTP-UHFFFAOYSA-N
XLogP5.81
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(4-bromophenoxy)benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 91234372
3-fluoro-2-(4-methylphenyl)furan
CID 10942983
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 70277885
[2-(4-bromophenoxy)-4-methylphenyl] formate
CID 135130123
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
2-(4-bromophenyl)-3,4-dimethylfuran
CID 132507630
2-bromo-4-methyl-6-(4-methylphenoxy)phenol
CID 101049595
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenoxy)furan?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenoxy)furan (CID 67711671) is 2-(4-bromophenyl)-3-(4-methylphenoxy)furan.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methylphenoxy)furan?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methylphenoxy)furan is Cc1ccc(Oc2ccoc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methylphenoxy)furan?
The InChIKey is MAWMKLDXQXHRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c1-12-2-8-15(9-3-12)20-16-10-11-19-17(16)13-4-6-14(18)7-5-13/h2-11H,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-methylphenoxy)furan?
2-(4-bromophenyl)-3-(4-methylphenoxy)furan has a molecular weight of 329.19 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methylphenoxy)furan is sourced from PubChem (CID 67711671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).