8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole

C26H26F2OS — CID 156511858

IUPAC8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole
SMILESCCc1ccc2cc3c(sc4c(F)c(OCC5CCC(C)CC5)ccc43)c(F)c2c1
InChIInChI=1S/C26H26F2OS/c1-3-16-8-9-18-13-21-19-10-11-22(29-14-17-6-4-15(2)5-7-17)24(28)25(19)30-26(21)23(27)20(18)12-16/h8-13,15,17H,3-7,14H2,1-2H3
InChIKeyKHEUEXRGTWGZOW-UHFFFAOYSA-N
MW424.56 g/mol
LogP8.25
Rot. Bonds4

About 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole

8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole (PubChem CID 156511858) has the molecular formula C26H26F2OS and a molecular weight of 424.56 g/mol. Its IUPAC name is 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole
PubChem CID156511858
Molecular FormulaC26H26F2OS
Molecular Weight424.56 g/mol
Exact Mass424.17
IUPAC Name8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole
SMILESCCc1ccc2cc3c(sc4c(F)c(OCC5CCC(C)CC5)ccc43)c(F)c2c1
InChIInChI=1S/C26H26F2OS/c1-3-16-8-9-18-13-21-19-10-11-22(29-14-17-6-4-15(2)5-7-17)24(28)25(19)30-26(21)23(27)20(18)12-16/h8-13,15,17H,3-7,14H2,1-2H3
InChIKeyKHEUEXRGTWGZOW-UHFFFAOYSA-N
XLogP8.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole with MolForge

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Related Compounds

3-(cyclopropylmethoxy)-4,6-difluoro-8-propylnaphtho[2,3-b][1]benzothiole
CID 156511879
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
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-(cyclopent-3-en-1-ylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene
CID 170293379
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
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
3-(cyclopropylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
CID 170268603
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole?
The IUPAC name of 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole (CID 156511858) is 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole?
The canonical SMILES for 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole is CCc1ccc2cc3c(sc4c(F)c(OCC5CCC(C)CC5)ccc43)c(F)c2c1.
What is the InChIKey of 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole?
The InChIKey is KHEUEXRGTWGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2OS/c1-3-16-8-9-18-13-21-19-10-11-22(29-14-17-6-4-15(2)5-7-17)24(28)25(19)30-26(21)23(27)20(18)12-16/h8-13,15,17H,3-7,14H2,1-2H3.
What are the key properties of 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole?
8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole has a molecular weight of 424.56 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4,6-difluoro-3-[(4-methylcyclohexyl)methoxy]naphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 156511858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).