3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran

C19H13FOS — CID 91076800

IUPAC3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran
SMILESCc1oc2c(ccc3ccccc32)c1Sc1ccc(F)cc1
InChIInChI=1S/C19H13FOS/c1-12-19(22-15-9-7-14(20)8-10-15)17-11-6-13-4-2-3-5-16(13)18(17)21-12/h2-11H,1H3
InChIKeyJGKDBZLIAVBXOC-UHFFFAOYSA-N
MW308.38 g/mol
LogP6.18
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran

3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran (PubChem CID 91076800) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran
PubChem CID91076800
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran
SMILESCc1oc2c(ccc3ccccc32)c1Sc1ccc(F)cc1
InChIInChI=1S/C19H13FOS/c1-12-19(22-15-9-7-14(20)8-10-15)17-11-6-13-4-2-3-5-16(13)18(17)21-12/h2-11H,1H3
InChIKeyJGKDBZLIAVBXOC-UHFFFAOYSA-N
XLogP6.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran (CID 91076800) is 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran is Cc1oc2c(ccc3ccccc32)c1Sc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran?
The InChIKey is JGKDBZLIAVBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FOS/c1-12-19(22-15-9-7-14(20)8-10-15)17-11-6-13-4-2-3-5-16(13)18(17)21-12/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran?
3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran has a molecular weight of 308.38 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methylbenzo[g][1]benzofuran is sourced from PubChem (CID 91076800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).