3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran

C22H24F2O3 — CID 134454098

IUPAC3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
SMILESCCCCOc1ccc2c(oc3c(F)c(OCC4CCCC4)ccc32)c1F
InChIInChI=1S/C22H24F2O3/c1-2-3-12-25-17-10-8-15-16-9-11-18(26-13-14-6-4-5-7-14)20(24)22(16)27-21(15)19(17)23/h8-11,14H,2-7,12-13H2,1H3
InChIKeyAMGJTSBYXNECKS-UHFFFAOYSA-N
MW374.43 g/mol
LogP6.61
Rot. Bonds7

About 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran

3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran (PubChem CID 134454098) has the molecular formula C22H24F2O3 and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran.

Molecular Properties

Compound Name3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
PubChem CID134454098
Molecular FormulaC22H24F2O3
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
SMILESCCCCOc1ccc2c(oc3c(F)c(OCC4CCCC4)ccc32)c1F
InChIInChI=1S/C22H24F2O3/c1-2-3-12-25-17-10-8-15-16-9-11-18(26-13-14-6-4-5-7-14)20(24)22(16)27-21(15)19(17)23/h8-11,14H,2-7,12-13H2,1H3
InChIKeyAMGJTSBYXNECKS-UHFFFAOYSA-N
XLogP6.61
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 56.61
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-butoxy-7-cyclopentylsulfanyl-4,6-difluorodibenzofuran
CID 146324940
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
3-(cyclobutylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclobutylmethoxy)-4,6-difluoro-7-methyldibenzothiophene;3-(cyclopentylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclopentylmethoxy)-4,6-difluoro-7-methyldibenzothiophene;3-(cyclopropylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclopropylmethoxy)-4,6-difluoro-7-methyldibenzothiophene
CID 161159773
3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran
CID 170268630
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777
4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 146324915
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran?
The IUPAC name of 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran (CID 134454098) is 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran.
What is the SMILES notation for 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran?
The canonical SMILES for 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran is CCCCOc1ccc2c(oc3c(F)c(OCC4CCCC4)ccc32)c1F.
What is the InChIKey of 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran?
The InChIKey is AMGJTSBYXNECKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O3/c1-2-3-12-25-17-10-8-15-16-9-11-18(26-13-14-6-4-5-7-14)20(24)22(16)27-21(15)19(17)23/h8-11,14H,2-7,12-13H2,1H3.
What are the key properties of 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran?
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran has a molecular weight of 374.43 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran is sourced from PubChem (CID 134454098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).