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

C108H96F12O9S3 — CID 161159773

IUPAC3-(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
SMILESCc1ccc2c(oc3c(F)c(OCC4CC4)ccc32)c1F.Cc1ccc2c(oc3c(F)c(OCC4CCC4)ccc32)c1F.Cc1ccc2c(oc3c(F)c(OCC4CCCC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CCC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CCCC4)ccc32)c1F
InChIInChI=1S/C19H18F2O2.C19H18F2OS.C18H16F2O2.C18H16F2OS.C17H14F2O2.C17H14F2OS/c2*1-11-6-7-13-14-8-9-15(22-10-12-4-2-3-5-12)17(21)19(14)23-18(13)16(11)20;2*1-10-5-6-12-13-7-8-14(21-9-11-3-2-4-11)16(20)18(13)22-17(12)15(10)19;2*1-9-2-5-11-12-6-7-13(20-8-10-3-4-10)15(19)17(12)21-16(11)14(9)18/h2*6-9,12H,2-5,10H2,1H3;2*5-8,11H,2-4,9H2,1H3;2*2,5-7,10H,3-4,8H2,1H3
InChIKeyUPTRFJGTGYLGSR-UHFFFAOYSA-N
MW1862.12 g/mol
LogP33.51
Rot. Bonds18

About 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

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 (PubChem CID 161159773) has the molecular formula C108H96F12O9S3 and a molecular weight of 1862.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID161159773
Molecular FormulaC108H96F12O9S3
Molecular Weight1862.12 g/mol
Exact Mass1860.60
IUPAC Name3-(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
SMILESCc1ccc2c(oc3c(F)c(OCC4CC4)ccc32)c1F.Cc1ccc2c(oc3c(F)c(OCC4CCC4)ccc32)c1F.Cc1ccc2c(oc3c(F)c(OCC4CCCC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CCC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CCCC4)ccc32)c1F
InChIInChI=1S/C19H18F2O2.C19H18F2OS.C18H16F2O2.C18H16F2OS.C17H14F2O2.C17H14F2OS/c2*1-11-6-7-13-14-8-9-15(22-10-12-4-2-3-5-12)17(21)19(14)23-18(13)16(11)20;2*1-10-5-6-12-13-7-8-14(21-9-11-3-2-4-11)16(20)18(13)22-17(12)15(10)19;2*1-9-2-5-11-12-6-7-13(20-8-10-3-4-10)15(19)17(12)21-16(11)14(9)18/h2*6-9,12H,2-5,10H2,1H3;2*5-8,11H,2-4,9H2,1H3;2*2,5-7,10H,3-4,8H2,1H3
InChIKeyUPTRFJGTGYLGSR-UHFFFAOYSA-N
XLogP33.51
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.12
LogP ≤ 533.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(oc3c(F)c(OCC4CC4)ccc32)c1F.Cc1ccc2c(oc3c(F)c(OCC4CCC4)ccc32)c1F.Cc1ccc2c(oc3c(F)c(OCC4CCCC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CCC4)ccc32)c1F.Cc1ccc2c(sc3c(F)c(OCC4CCCC4)ccc32)c1F.
What is the InChIKey of 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?
The InChIKey is UPTRFJGTGYLGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O2.C19H18F2OS.C18H16F2O2.C18H16F2OS.C17H14F2O2.C17H14F2OS/c2*1-11-6-7-13-14-8-9-15(22-10-12-4-2-3-5-12)17(21)19(14)23-18(13)16(11)20;2*1-10-5-6-12-13-7-8-14(21-9-11-3-2-4-11)16(20)18(13)22-17(12)15(10)19;2*1-9-2-5-11-12-6-7-13(20-8-10-3-4-10)15(19)17(12)21-16(11)14(9)18/h2*6-9,12H,2-5,10H2,1H3;2*5-8,11H,2-4,9H2,1H3;2*2,5-7,10H,3-4,8H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1862.12 g/mol, XLogP of 33.51, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161159773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).