3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran

C16H12F2O4 — CID 11536825

IUPAC3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran
SMILESCOc1cc(OC)c2c(Oc3ccc(F)cc3F)coc2c1
InChIInChI=1S/C16H12F2O4/c1-19-10-6-13(20-2)16-14(7-10)21-8-15(16)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3
InChIKeyMKAZJIWYVWSLMS-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.52
Rot. Bonds4

About 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran

3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran (PubChem CID 11536825) has the molecular formula C16H12F2O4 and a molecular weight of 306.26 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran
PubChem CID11536825
Molecular FormulaC16H12F2O4
Molecular Weight306.26 g/mol
Exact Mass306.07
IUPAC Name3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran
SMILESCOc1cc(OC)c2c(Oc3ccc(F)cc3F)coc2c1
InChIInChI=1S/C16H12F2O4/c1-19-10-6-13(20-2)16-14(7-10)21-8-15(16)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3
InChIKeyMKAZJIWYVWSLMS-UHFFFAOYSA-N
XLogP4.52
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167433327
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
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CID 154714196
4-(2,4-difluorophenoxy)-1-ethylsulfonyl-6-methoxyindole
CID 167433343
5,7-dimethoxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 141204632
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
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CID 78790506

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran?
The IUPAC name of 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran (CID 11536825) is 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran?
The canonical SMILES for 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran is COc1cc(OC)c2c(Oc3ccc(F)cc3F)coc2c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran?
The InChIKey is MKAZJIWYVWSLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O4/c1-19-10-6-13(20-2)16-14(7-10)21-8-15(16)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3.
What are the key properties of 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran?
3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran has a molecular weight of 306.26 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-4,6-dimethoxy-1-benzofuran is sourced from PubChem (CID 11536825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).