3-butoxy-4,6-difluoro-7-methoxydibenzofuran

C17H16F2O3 — CID 121245755

IUPAC3-butoxy-4,6-difluoro-7-methoxydibenzofuran
SMILESCCCCOc1ccc2c(oc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C17H16F2O3/c1-3-4-9-21-13-8-6-11-10-5-7-12(20-2)14(18)16(10)22-17(11)15(13)19/h5-8H,3-4,9H2,1-2H3
InChIKeyQRVXIUBTTNBXFD-UHFFFAOYSA-N
MW306.31 g/mol
LogP5.05
Rot. Bonds5

About 3-butoxy-4,6-difluoro-7-methoxydibenzofuran

3-butoxy-4,6-difluoro-7-methoxydibenzofuran (PubChem CID 121245755) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-butoxy-4,6-difluoro-7-methoxydibenzofuran.

Molecular Properties

Compound Name3-butoxy-4,6-difluoro-7-methoxydibenzofuran
PubChem CID121245755
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name3-butoxy-4,6-difluoro-7-methoxydibenzofuran
SMILESCCCCOc1ccc2c(oc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C17H16F2O3/c1-3-4-9-21-13-8-6-11-10-5-7-12(20-2)14(18)16(10)22-17(11)15(13)19/h5-8H,3-4,9H2,1-2H3
InChIKeyQRVXIUBTTNBXFD-UHFFFAOYSA-N
XLogP5.05
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
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-pentoxydibenzofuran
CID 118372770
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777
1-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658
3-butoxy-4,6-difluoro-7-methoxydibenzothiophene
CID 118458293
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761
3-butoxy-7-cyclopentylsulfanyl-4,6-difluorodibenzofuran
CID 146324940
3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
CID 163495590

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4,6-difluoro-7-methoxydibenzofuran?
The IUPAC name of 3-butoxy-4,6-difluoro-7-methoxydibenzofuran (CID 121245755) is 3-butoxy-4,6-difluoro-7-methoxydibenzofuran.
What is the SMILES notation for 3-butoxy-4,6-difluoro-7-methoxydibenzofuran?
The canonical SMILES for 3-butoxy-4,6-difluoro-7-methoxydibenzofuran is CCCCOc1ccc2c(oc3c(F)c(OC)ccc32)c1F.
What is the InChIKey of 3-butoxy-4,6-difluoro-7-methoxydibenzofuran?
The InChIKey is QRVXIUBTTNBXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-3-4-9-21-13-8-6-11-10-5-7-12(20-2)14(18)16(10)22-17(11)15(13)19/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-butoxy-4,6-difluoro-7-methoxydibenzofuran?
3-butoxy-4,6-difluoro-7-methoxydibenzofuran has a molecular weight of 306.31 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4,6-difluoro-7-methoxydibenzofuran is sourced from PubChem (CID 121245755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).