4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol

C21H15FO3S — CID 74222431

IUPAC4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol
SMILESCOc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(O)cc3)sc2c1
InChIInChI=1S/C21H15FO3S/c1-24-17-10-11-18-19(12-17)26-21(25-16-8-6-15(23)7-9-16)20(18)13-2-4-14(22)5-3-13/h2-12,23H,1H3
InChIKeyVSGVCCUPKSFUQN-UHFFFAOYSA-N
MW366.41 g/mol
LogP6.21
Rot. Bonds4

About 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol

4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol (PubChem CID 74222431) has the molecular formula C21H15FO3S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol
PubChem CID74222431
Molecular FormulaC21H15FO3S
Molecular Weight366.41 g/mol
Exact Mass366.07
IUPAC Name4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol
SMILESCOc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(O)cc3)sc2c1
InChIInChI=1S/C21H15FO3S/c1-24-17-10-11-18-19(12-17)26-21(25-16-8-6-15(23)7-9-16)20(18)13-2-4-14(22)5-3-13/h2-12,23H,1H3
InChIKeyVSGVCCUPKSFUQN-UHFFFAOYSA-N
XLogP6.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]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-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol?
The IUPAC name of 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol (CID 74222431) is 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol is COc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(O)cc3)sc2c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol?
The InChIKey is VSGVCCUPKSFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO3S/c1-24-17-10-11-18-19(12-17)26-21(25-16-8-6-15(23)7-9-16)20(18)13-2-4-14(22)5-3-13/h2-12,23H,1H3.
What are the key properties of 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol?
4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol has a molecular weight of 366.41 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-6-methoxy-1-benzothiophen-2-yl]oxy]phenol is sourced from PubChem (CID 74222431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).