(4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol

C22H16F2O2S2 — CID 134940554

IUPAC(4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1ccc(-c2ccc(C(O)c3ccc(F)cc3)s2)s1
InChIInChI=1S/C22H16F2O2S2/c23-15-5-1-13(2-6-15)21(25)19-11-9-17(27-19)18-10-12-20(28-18)22(26)14-3-7-16(24)8-4-14/h1-12,21-22,25-26H
InChIKeyVWWQYFNDCXZZQC-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.92
Rot. Bonds5

About (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol

(4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol (PubChem CID 134940554) has the molecular formula C22H16F2O2S2 and a molecular weight of 414.50 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol
PubChem CID134940554
Molecular FormulaC22H16F2O2S2
Molecular Weight414.50 g/mol
Exact Mass414.06
IUPAC Name(4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1ccc(-c2ccc(C(O)c3ccc(F)cc3)s2)s1
InChIInChI=1S/C22H16F2O2S2/c23-15-5-1-13(2-6-15)21(25)19-11-9-17(27-19)18-10-12-20(28-18)22(26)14-3-7-16(24)8-4-14/h1-12,21-22,25-26H
InChIKeyVWWQYFNDCXZZQC-UHFFFAOYSA-N
XLogP5.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol 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-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol (CID 134940554) is (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol is OC(c1ccc(F)cc1)c1ccc(-c2ccc(C(O)c3ccc(F)cc3)s2)s1.
What is the InChIKey of (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol?
The InChIKey is VWWQYFNDCXZZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2O2S2/c23-15-5-1-13(2-6-15)21(25)19-11-9-17(27-19)18-10-12-20(28-18)22(26)14-3-7-16(24)8-4-14/h1-12,21-22,25-26H.
What are the key properties of (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol?
(4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol has a molecular weight of 414.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-[5-[(4-fluorophenyl)-hydroxymethyl]thiophen-2-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 134940554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).