7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole

C19H13FOS — CID 154717914

IUPAC7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole
SMILESCOc1ccc(-c2cc3ccsc3c3ccc(F)cc23)cc1
InChIInChI=1S/C19H13FOS/c1-21-15-5-2-12(3-6-15)17-10-13-8-9-22-19(13)16-7-4-14(20)11-18(16)17/h2-11H,1H3
InChIKeyKALAOUOHCGWWMT-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.87
Rot. Bonds2

About 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole

7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole (PubChem CID 154717914) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole.

Molecular Properties

Compound Name7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole
PubChem CID154717914
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole
SMILESCOc1ccc(-c2cc3ccsc3c3ccc(F)cc23)cc1
InChIInChI=1S/C19H13FOS/c1-21-15-5-2-12(3-6-15)17-10-13-8-9-22-19(13)16-7-4-14(20)11-18(16)17/h2-11H,1H3
InChIKeyKALAOUOHCGWWMT-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole?
The IUPAC name of 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole (CID 154717914) is 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole.
What is the SMILES notation for 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole?
The canonical SMILES for 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole is COc1ccc(-c2cc3ccsc3c3ccc(F)cc23)cc1.
What is the InChIKey of 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole?
The InChIKey is KALAOUOHCGWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FOS/c1-21-15-5-2-12(3-6-15)17-10-13-8-9-22-19(13)16-7-4-14(20)11-18(16)17/h2-11H,1H3.
What are the key properties of 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole?
7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole has a molecular weight of 308.38 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(4-methoxyphenyl)benzo[g][1]benzothiole is sourced from PubChem (CID 154717914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).