4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol

C23H27FO4S — CID 67809555

IUPAC4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol
SMILESCOC1(c2cc(F)cc(Sc3ccc(C4CCOC(O)C4)cc3)c2)CCOCC1
InChIInChI=1S/C23H27FO4S/c1-26-23(7-10-27-11-8-23)18-13-19(24)15-21(14-18)29-20-4-2-16(3-5-20)17-6-9-28-22(25)12-17/h2-5,13-15,17,22,25H,6-12H2,1H3
InChIKeyPWTIHBVQISYIAT-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.84
Rot. Bonds5

About 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol

4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol (PubChem CID 67809555) has the molecular formula C23H27FO4S and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol.

Molecular Properties

Compound Name4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol
PubChem CID67809555
Molecular FormulaC23H27FO4S
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Name4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol
SMILESCOC1(c2cc(F)cc(Sc3ccc(C4CCOC(O)C4)cc3)c2)CCOCC1
InChIInChI=1S/C23H27FO4S/c1-26-23(7-10-27-11-8-23)18-13-19(24)15-21(14-18)29-20-4-2-16(3-5-20)17-6-9-28-22(25)12-17/h2-5,13-15,17,22,25H,6-12H2,1H3
InChIKeyPWTIHBVQISYIAT-UHFFFAOYSA-N
XLogP4.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol 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-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol?
The IUPAC name of 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol (CID 67809555) is 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol.
What is the SMILES notation for 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol?
The canonical SMILES for 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol is COC1(c2cc(F)cc(Sc3ccc(C4CCOC(O)C4)cc3)c2)CCOCC1.
What is the InChIKey of 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol?
The InChIKey is PWTIHBVQISYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FO4S/c1-26-23(7-10-27-11-8-23)18-13-19(24)15-21(14-18)29-20-4-2-16(3-5-20)17-6-9-28-22(25)12-17/h2-5,13-15,17,22,25H,6-12H2,1H3.
What are the key properties of 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol?
4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol has a molecular weight of 418.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]oxan-2-ol is sourced from PubChem (CID 67809555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).