1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene

C17H13FOS — CID 132941164

IUPAC1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1Sc1ccc(F)cc1
InChIInChI=1S/C17H13FOS/c1-19-16-11-6-12-4-2-3-5-15(12)17(16)20-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyRBEHDQQNMUIHOL-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.14
Rot. Bonds3

About 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene

1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene (PubChem CID 132941164) has the molecular formula C17H13FOS and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene
PubChem CID132941164
Molecular FormulaC17H13FOS
Molecular Weight284.36 g/mol
Exact Mass284.07
IUPAC Name1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1Sc1ccc(F)cc1
InChIInChI=1S/C17H13FOS/c1-19-16-11-6-12-4-2-3-5-15(12)17(16)20-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyRBEHDQQNMUIHOL-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene (CID 132941164) is 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene is COc1ccc2ccccc2c1Sc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene?
The InChIKey is RBEHDQQNMUIHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FOS/c1-19-16-11-6-12-4-2-3-5-15(12)17(16)20-14-9-7-13(18)8-10-14/h2-11H,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene?
1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene has a molecular weight of 284.36 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-2-methoxynaphthalene is sourced from PubChem (CID 132941164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).