2-(2-fluoro-4-methylphenyl)dibenzothiophene

C19H13FS — CID 126592460

IUPAC2-(2-fluoro-4-methylphenyl)dibenzothiophene
SMILESCc1ccc(-c2ccc3sc4ccccc4c3c2)c(F)c1
InChIInChI=1S/C19H13FS/c1-12-6-8-14(17(20)10-12)13-7-9-19-16(11-13)15-4-2-3-5-18(15)21-19/h2-11H,1H3
InChIKeyRUORIZQVWGAFON-UHFFFAOYSA-N
MW292.38 g/mol
LogP6.17
Rot. Bonds1

About 2-(2-fluoro-4-methylphenyl)dibenzothiophene

2-(2-fluoro-4-methylphenyl)dibenzothiophene (PubChem CID 126592460) has the molecular formula C19H13FS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)dibenzothiophene.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)dibenzothiophene
PubChem CID126592460
Molecular FormulaC19H13FS
Molecular Weight292.38 g/mol
Exact Mass292.07
IUPAC Name2-(2-fluoro-4-methylphenyl)dibenzothiophene
SMILESCc1ccc(-c2ccc3sc4ccccc4c3c2)c(F)c1
InChIInChI=1S/C19H13FS/c1-12-6-8-14(17(20)10-12)13-7-9-19-16(11-13)15-4-2-3-5-18(15)21-19/h2-11H,1H3
InChIKeyRUORIZQVWGAFON-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
CID 166575809
2-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene
CID 138665918
2-(40-tetradecacyclo[42.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,43.046,59.047,52.053,58]hexaconta-1(44),2(19),3,5,7,9,11,13,15,17,20(37),21,23,25,27,29,31,33,35,38(43),39,41,45,47,49,51,53,55,57,59-triacontaenyl)dibenzothiophene
CID 134429068
2-[4-(1-methylnaphthalen-2-yl)phenyl]dibenzothiophene
CID 135245249
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
2-[4-methyl-3-(2-methylphenyl)phenyl]dibenzothiophene;2-methyltriphenylene;propane
CID 144803406
1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
CID 175613525
2-(2-methyl-4-pyren-1-ylphenyl)dibenzothiophene
CID 59758502
2-(12-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428991

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)dibenzothiophene?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)dibenzothiophene (CID 126592460) is 2-(2-fluoro-4-methylphenyl)dibenzothiophene.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)dibenzothiophene?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)dibenzothiophene is Cc1ccc(-c2ccc3sc4ccccc4c3c2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)dibenzothiophene?
The InChIKey is RUORIZQVWGAFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FS/c1-12-6-8-14(17(20)10-12)13-7-9-19-16(11-13)15-4-2-3-5-18(15)21-19/h2-11H,1H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)dibenzothiophene?
2-(2-fluoro-4-methylphenyl)dibenzothiophene has a molecular weight of 292.38 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)dibenzothiophene is sourced from PubChem (CID 126592460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).