4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol

C18H15FOS — CID 105374587

IUPAC4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol
SMILESCc1ccc(F)cc1CSc1ccc(O)c2ccccc12
InChIInChI=1S/C18H15FOS/c1-12-6-7-14(19)10-13(12)11-21-18-9-8-17(20)15-4-2-3-5-16(15)18/h2-10,20H,11H2,1H3
InChIKeyRRPLPXCLUAWLFS-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.29
Rot. Bonds3

About 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol

4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol (PubChem CID 105374587) has the molecular formula C18H15FOS and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol
PubChem CID105374587
Molecular FormulaC18H15FOS
Molecular Weight298.38 g/mol
Exact Mass298.08
IUPAC Name4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol
SMILESCc1ccc(F)cc1CSc1ccc(O)c2ccccc12
InChIInChI=1S/C18H15FOS/c1-12-6-7-14(19)10-13(12)11-21-18-9-8-17(20)15-4-2-3-5-16(15)18/h2-10,20H,11H2,1H3
InChIKeyRRPLPXCLUAWLFS-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol (CID 105374587) is 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol is Cc1ccc(F)cc1CSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is RRPLPXCLUAWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FOS/c1-12-6-7-14(19)10-13(12)11-21-18-9-8-17(20)15-4-2-3-5-16(15)18/h2-10,20H,11H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol?
4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 298.38 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 105374587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).