4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol

C14H13FO2S — CID 54911136

IUPAC4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol
SMILESCOc1ccc(F)cc1CSc1ccc(O)cc1
InChIInChI=1S/C14H13FO2S/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyHSYIYEMVRDCDFE-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.83
Rot. Bonds4

About 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol

4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol (PubChem CID 54911136) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol
PubChem CID54911136
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol
SMILESCOc1ccc(F)cc1CSc1ccc(O)cc1
InChIInChI=1S/C14H13FO2S/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyHSYIYEMVRDCDFE-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol (CID 54911136) is 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol is COc1ccc(F)cc1CSc1ccc(O)cc1.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol?
The InChIKey is HSYIYEMVRDCDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol?
4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol has a molecular weight of 264.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenol is sourced from PubChem (CID 54911136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).