3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole

C23H20F2OS — CID 156511879

IUPAC3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole
SMILESCCCc1ccc2cc3c(sc4c(F)c(OCC5CC5)ccc43)c(F)c2c1
InChIInChI=1S/C23H20F2OS/c1-2-3-13-6-7-15-11-18-16-8-9-19(26-12-14-4-5-14)21(25)22(16)27-23(18)20(24)17(15)10-13/h6-11,14H,2-5,12H2,1H3
InChIKeyBYDFTXMSVKCXOL-UHFFFAOYSA-N
MW382.48 g/mol
LogP7.23
Rot. Bonds5

About 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole

3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole (PubChem CID 156511879) has the molecular formula C23H20F2OS and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole
PubChem CID156511879
Molecular FormulaC23H20F2OS
Molecular Weight382.48 g/mol
Exact Mass382.12
IUPAC Name3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole
SMILESCCCc1ccc2cc3c(sc4c(F)c(OCC5CC5)ccc43)c(F)c2c1
InChIInChI=1S/C23H20F2OS/c1-2-3-13-6-7-15-11-18-16-8-9-19(26-12-14-4-5-14)21(25)22(16)27-23(18)20(24)17(15)10-13/h6-11,14H,2-5,12H2,1H3
InChIKeyBYDFTXMSVKCXOL-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole
CID 156511858
3-(cyclobutylmethoxy)-8-ethyl-4,6,7-trifluoronaphtho[2,3-b][1]benzothiole
CID 156511865
3-[[4-(cyclopropylmethyl)cyclohexyl]methoxy]-4,6-difluoro-7-hexoxydibenzothiophene
CID 154962458
3-(cyclopent-3-en-1-ylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene
CID 170293379
7-(cyclopentylmethoxy)-4,6-difluoro-2-methyl-3-pentoxydibenzothiophene
CID 164546211
3-[[4-(cyclopropylmethyl)cyclohexyl]methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene
CID 163262123
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-(cyclopropylmethyl)-7-ethoxy-4,6-difluorodibenzothiophene
CID 138465048
3-(cyclopropylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
CID 170268603
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole?
The IUPAC name of 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole (CID 156511879) is 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole?
The canonical SMILES for 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole is CCCc1ccc2cc3c(sc4c(F)c(OCC5CC5)ccc43)c(F)c2c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole?
The InChIKey is BYDFTXMSVKCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2OS/c1-2-3-13-6-7-15-11-18-16-8-9-19(26-12-14-4-5-14)21(25)22(16)27-23(18)20(24)17(15)10-13/h6-11,14H,2-5,12H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole?
3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole has a molecular weight of 382.48 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 156511879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).