4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol

C18H18F2O3 — CID 123550664

IUPAC4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol
SMILESCC(C)CCCOc1ccc2c(oc3c(F)c(O)ccc32)c1F
InChIInChI=1S/C18H18F2O3/c1-10(2)4-3-9-22-14-8-6-12-11-5-7-13(21)15(19)17(11)23-18(12)16(14)20/h5-8,10,21H,3-4,9H2,1-2H3
InChIKeyGBANJIYAHBDRBF-UHFFFAOYSA-N
MW320.33 g/mol
LogP5.38
Rot. Bonds5

About 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol

4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol (PubChem CID 123550664) has the molecular formula C18H18F2O3 and a molecular weight of 320.33 g/mol. Its IUPAC name is 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol.

Molecular Properties

Compound Name4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol
PubChem CID123550664
Molecular FormulaC18H18F2O3
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol
SMILESCC(C)CCCOc1ccc2c(oc3c(F)c(O)ccc32)c1F
InChIInChI=1S/C18H18F2O3/c1-10(2)4-3-9-22-14-8-6-12-11-5-7-13(21)15(19)17(11)23-18(12)16(14)20/h5-8,10,21H,3-4,9H2,1-2H3
InChIKeyGBANJIYAHBDRBF-UHFFFAOYSA-N
XLogP5.38
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
4,6-difluoro-3-(4-methylpentoxy)-7-prop-1-ynoxydibenzofuran
CID 121242008
3-but-2-ynoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran;bis(4,6-difluoro-3-methyl-7-(4-methylpentoxy)dibenzofuran)
CID 159114870
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372770
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777
3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 125470974
(1S)-1-(4,6-difluoro-7-hexoxydibenzofuran-3-yl)propan-1-ol
CID 125490766
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol?
The IUPAC name of 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol (CID 123550664) is 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol.
What is the SMILES notation for 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol?
The canonical SMILES for 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol is CC(C)CCCOc1ccc2c(oc3c(F)c(O)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol?
The InChIKey is GBANJIYAHBDRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O3/c1-10(2)4-3-9-22-14-8-6-12-11-5-7-13(21)15(19)17(11)23-18(12)16(14)20/h5-8,10,21H,3-4,9H2,1-2H3.
What are the key properties of 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol?
4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol has a molecular weight of 320.33 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol is sourced from PubChem (CID 123550664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).