4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran

C26H30F2O4 — CID 146324915

IUPAC4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
SMILESCCCC1CCC(COc2ccc3c(oc4c(F)c(OC5CCOC5)ccc43)c2F)CC1
InChIInChI=1S/C26H30F2O4/c1-2-3-16-4-6-17(7-5-16)14-30-21-10-8-19-20-9-11-22(31-18-12-13-29-15-18)24(28)26(20)32-25(19)23(21)27/h8-11,16-18H,2-7,12-15H2,1H3
InChIKeyLKUANSDRUBGVOA-UHFFFAOYSA-N
MW444.52 g/mol
LogP7.02
Rot. Bonds7

About 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran

4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran (PubChem CID 146324915) has the molecular formula C26H30F2O4 and a molecular weight of 444.52 g/mol. Its IUPAC name is 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
PubChem CID146324915
Molecular FormulaC26H30F2O4
Molecular Weight444.52 g/mol
Exact Mass444.21
IUPAC Name4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
SMILESCCCC1CCC(COc2ccc3c(oc4c(F)c(OC5CCOC5)ccc43)c2F)CC1
InChIInChI=1S/C26H30F2O4/c1-2-3-16-4-6-17(7-5-16)14-30-21-10-8-19-20-9-11-22(31-18-12-13-29-15-18)24(28)26(20)32-25(19)23(21)27/h8-11,16-18H,2-7,12-15H2,1H3
InChIKeyLKUANSDRUBGVOA-UHFFFAOYSA-N
XLogP7.02
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
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
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran
CID 170268630
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
The IUPAC name of 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran (CID 146324915) is 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran.
What is the SMILES notation for 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
The canonical SMILES for 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran is CCCC1CCC(COc2ccc3c(oc4c(F)c(OC5CCOC5)ccc43)c2F)CC1.
What is the InChIKey of 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
The InChIKey is LKUANSDRUBGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2O4/c1-2-3-16-4-6-17(7-5-16)14-30-21-10-8-19-20-9-11-22(31-18-12-13-29-15-18)24(28)26(20)32-25(19)23(21)27/h8-11,16-18H,2-7,12-15H2,1H3.
What are the key properties of 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran has a molecular weight of 444.52 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran is sourced from PubChem (CID 146324915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).