7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene

C20H21FO2S — CID 166927086

IUPAC7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene
SMILESCCCOc1ccc2c(sc3cc(OC4CCCC4)ccc32)c1F
InChIInChI=1S/C20H21FO2S/c1-2-11-22-17-10-9-16-15-8-7-14(23-13-5-3-4-6-13)12-18(15)24-20(16)19(17)21/h7-10,12-13H,2-6,11H2,1H3
InChIKeyIAPSWUWDOVAOED-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.30
Rot. Bonds5

About 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene

7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene (PubChem CID 166927086) has the molecular formula C20H21FO2S and a molecular weight of 344.45 g/mol. Its IUPAC name is 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene.

Molecular Properties

Compound Name7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene
PubChem CID166927086
Molecular FormulaC20H21FO2S
Molecular Weight344.45 g/mol
Exact Mass344.12
IUPAC Name7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene
SMILESCCCOc1ccc2c(sc3cc(OC4CCCC4)ccc32)c1F
InChIInChI=1S/C20H21FO2S/c1-2-11-22-17-10-9-16-15-8-7-14(23-13-5-3-4-6-13)12-18(15)24-20(16)19(17)21/h7-10,12-13H,2-6,11H2,1H3
InChIKeyIAPSWUWDOVAOED-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane
CID 166927056
3-butoxy-4,6-difluoro-7-propoxydibenzothiophene
CID 118458302
3-butoxy-4,6-difluoro-7-hexoxydibenzothiophene
CID 118458309
2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
CID 154950629
3-butoxy-4,6-difluoro-7-methoxydibenzothiophene
CID 118458293
7-(cyclopentylmethoxy)-4,6-difluoro-2-methyl-3-pentoxydibenzothiophene
CID 164546211
3-[[4-(cyclopropylmethyl)cyclohexyl]methoxy]-4,6-difluoro-7-hexoxydibenzothiophene
CID 154962458
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
CID 170268610
3-(cyclobutylmethoxy)-8-ethyl-4,6,7-trifluoronaphtho[2,3-b][1]benzothiole
CID 156511865

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene?
The IUPAC name of 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene (CID 166927086) is 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene.
What is the SMILES notation for 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene?
The canonical SMILES for 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene is CCCOc1ccc2c(sc3cc(OC4CCCC4)ccc32)c1F.
What is the InChIKey of 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene?
The InChIKey is IAPSWUWDOVAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO2S/c1-2-11-22-17-10-9-16-15-8-7-14(23-13-5-3-4-6-13)12-18(15)24-20(16)19(17)21/h7-10,12-13H,2-6,11H2,1H3.
What are the key properties of 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene?
7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene has a molecular weight of 344.45 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-4-fluoro-3-propoxydibenzothiophene is sourced from PubChem (CID 166927086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).