4-(4-methoxyphenyl)dibenzothiophene

C19H14OS — CID 138456987

IUPAC4-(4-methoxyphenyl)dibenzothiophene
SMILESCOc1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C19H14OS/c1-20-14-11-9-13(10-12-14)15-6-4-7-17-16-5-2-3-8-18(16)21-19(15)17/h2-12H,1H3
InChIKeySHWHQQRNZFTTIQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.73
Rot. Bonds2

About 4-(4-methoxyphenyl)dibenzothiophene

4-(4-methoxyphenyl)dibenzothiophene (PubChem CID 138456987) has the molecular formula C19H14OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)dibenzothiophene
PubChem CID138456987
Molecular FormulaC19H14OS
Molecular Weight290.39 g/mol
Exact Mass290.08
IUPAC Name4-(4-methoxyphenyl)dibenzothiophene
SMILESCOc1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C19H14OS/c1-20-14-11-9-13(10-12-14)15-6-4-7-17-16-5-2-3-8-18(16)21-19(15)17/h2-12H,1H3
InChIKeySHWHQQRNZFTTIQ-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
17,35-bis(4-methoxyphenyl)-14,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene
CID 89417515
17-(4-methoxyphenyl)-35-(4-methylphenyl)-6,24-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.022,34.023,31.025,30]hexatriaconta-1,3,5(13),7,9,11,14,16,18,20,22(34),23(31),25,27,29,32,35-heptadecaene
CID 89416899
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
CID 142405934
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
2-(4-dibenzothiophen-4-ylphenyl)-5,6-dimethoxy-1,10-phenanthroline
CID 90050116
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)dibenzothiophene?
The IUPAC name of 4-(4-methoxyphenyl)dibenzothiophene (CID 138456987) is 4-(4-methoxyphenyl)dibenzothiophene.
What is the SMILES notation for 4-(4-methoxyphenyl)dibenzothiophene?
The canonical SMILES for 4-(4-methoxyphenyl)dibenzothiophene is COc1ccc(-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)dibenzothiophene?
The InChIKey is SHWHQQRNZFTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OS/c1-20-14-11-9-13(10-12-14)15-6-4-7-17-16-5-2-3-8-18(16)21-19(15)17/h2-12H,1H3.
What are the key properties of 4-(4-methoxyphenyl)dibenzothiophene?
4-(4-methoxyphenyl)dibenzothiophene has a molecular weight of 290.39 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)dibenzothiophene is sourced from PubChem (CID 138456987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).