3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene

C18H20OS — CID 118460480

IUPAC3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene
SMILESCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C
InChIInChI=1S/C18H20OS/c1-5-13-7-8-14-15-9-10-16(19-6-2)12(4)18(15)20-17(14)11(13)3/h7-10H,5-6H2,1-4H3
InChIKeyKKLBPEPIHGZJET-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.63
Rot. Bonds3

About 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene

3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene (PubChem CID 118460480) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene.

Molecular Properties

Compound Name3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene
PubChem CID118460480
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene
SMILESCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C
InChIInChI=1S/C18H20OS/c1-5-13-7-8-14-15-9-10-16(19-6-2)12(4)18(15)20-17(14)11(13)3/h7-10H,5-6H2,1-4H3
InChIKeyKKLBPEPIHGZJET-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene
CID 159407630
3-ethynoxy-4,6-dimethyl-7-propoxydibenzothiophene
CID 118460549
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
CID 143169475
3-ethyl-4-iodo-6,7-dimethyldibenzothiophene
CID 126748311
3-(cyclopropylmethyl)-7-ethoxy-4,6-difluorodibenzothiophene
CID 138465048
(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxyboronic acid
CID 172852469
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
2,4-diethoxy-3-methylphenol
CID 11030728
3-butoxy-4,6-dimethyl-7-prop-1-ynoxydibenzothiophene;4,6-dimethyl-3-pentoxy-7-prop-1-ynoxydibenzothiophene;4,6-dimethyl-3-propoxy-7-prop-1-ynoxydibenzothiophene;3-heptoxy-4,6-dimethyl-7-prop-1-ynoxydibenzothiophene;3-hexoxy-4,6-dimethyl-7-prop-1-ynoxydibenzothiophene
CID 159295512
3-(4-ethoxy-2,3-dimethylphenyl)propyl thiocyanate
CID 112719350
1-(4-ethoxy-2,3-dimethylphenyl)hexane-3,4-diol
CID 83939907

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene?
The IUPAC name of 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene (CID 118460480) is 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene.
What is the SMILES notation for 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene?
The canonical SMILES for 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene is CCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.
What is the InChIKey of 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene?
The InChIKey is KKLBPEPIHGZJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-5-13-7-8-14-15-9-10-16(19-6-2)12(4)18(15)20-17(14)11(13)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene?
3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene has a molecular weight of 284.42 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene is sourced from PubChem (CID 118460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).