4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol

C15H13FN4O2S — CID 4815411

IUPAC4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCOc1ccc(CSc2nnnn2-c2ccc(O)cc2)cc1F
InChIInChI=1S/C15H13FN4O2S/c1-22-14-7-2-10(8-13(14)16)9-23-15-17-18-19-20(15)11-3-5-12(21)6-4-11/h2-8,21H,9H2,1H3
InChIKeyALUIFOQPZYAULN-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.81
Rot. Bonds5

About 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 4815411) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID4815411
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCOc1ccc(CSc2nnnn2-c2ccc(O)cc2)cc1F
InChIInChI=1S/C15H13FN4O2S/c1-22-14-7-2-10(8-13(14)16)9-23-15-17-18-19-20(15)11-3-5-12(21)6-4-11/h2-8,21H,9H2,1H3
InChIKeyALUIFOQPZYAULN-UHFFFAOYSA-N
XLogP2.81
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol (CID 4815411) is 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol is COc1ccc(CSc2nnnn2-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is ALUIFOQPZYAULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-22-14-7-2-10(8-13(14)16)9-23-15-17-18-19-20(15)11-3-5-12(21)6-4-11/h2-8,21H,9H2,1H3.
What are the key properties of 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 332.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 4815411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).