2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane

C20H21FO3S — CID 166927056

IUPAC2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane
SMILESCCCOc1ccc2c(sc3cc(OCC4CCCO4)ccc32)c1F
InChIInChI=1S/C20H21FO3S/c1-2-9-23-17-8-7-16-15-6-5-13(24-12-14-4-3-10-22-14)11-18(15)25-20(16)19(17)21/h5-8,11,14H,2-4,9-10,12H2,1H3
InChIKeyXSWCHJQLMAXMNO-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.54
Rot. Bonds6

About 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane

2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane (PubChem CID 166927056) has the molecular formula C20H21FO3S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane
PubChem CID166927056
Molecular FormulaC20H21FO3S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane
SMILESCCCOc1ccc2c(sc3cc(OCC4CCCO4)ccc32)c1F
InChIInChI=1S/C20H21FO3S/c1-2-9-23-17-8-7-16-15-6-5-13(24-12-14-4-3-10-22-14)11-18(15)25-20(16)19(17)21/h5-8,11,14H,2-4,9-10,12H2,1H3
InChIKeyXSWCHJQLMAXMNO-UHFFFAOYSA-N
XLogP5.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene
CID 166927086
2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
CID 154950629
3-butoxy-4,6-difluoro-7-propoxydibenzothiophene
CID 118458302
3-butoxy-4,6-difluoro-7-hexoxydibenzothiophene
CID 118458309
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55747392
3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 164979360
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
N-[(2-butoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802241
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane?
The IUPAC name of 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane (CID 166927056) is 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane?
The canonical SMILES for 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane is CCCOc1ccc2c(sc3cc(OCC4CCCO4)ccc32)c1F.
What is the InChIKey of 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane?
The InChIKey is XSWCHJQLMAXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3S/c1-2-9-23-17-8-7-16-15-6-5-13(24-12-14-4-3-10-22-14)11-18(15)25-20(16)19(17)21/h5-8,11,14H,2-4,9-10,12H2,1H3.
What are the key properties of 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane?
2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane has a molecular weight of 360.45 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane is sourced from PubChem (CID 166927056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).