[5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C17H7Cl2F3O3S — CID 122652981

IUPAC[5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H7Cl2F3O3S/c18-8-3-6(4-9(19)16(8)24)11-1-2-12(26-11)15(23)7-5-10(20)14(22)17(25)13(7)21/h1-5,24-25H
InChIKeyHCUFSJFBLVAVGG-UHFFFAOYSA-N
MW419.21 g/mol
LogP5.78
Rot. Bonds3

About [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

[5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652981) has the molecular formula C17H7Cl2F3O3S and a molecular weight of 419.21 g/mol. Its IUPAC name is [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652981
Molecular FormulaC17H7Cl2F3O3S
Molecular Weight419.21 g/mol
Exact Mass417.94
IUPAC Name[5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H7Cl2F3O3S/c18-8-3-6(4-9(19)16(8)24)11-1-2-12(26-11)15(23)7-5-10(20)14(22)17(25)13(7)21/h1-5,24-25H
InChIKeyHCUFSJFBLVAVGG-UHFFFAOYSA-N
XLogP5.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.21
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone 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 [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652981) is [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is HCUFSJFBLVAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7Cl2F3O3S/c18-8-3-6(4-9(19)16(8)24)11-1-2-12(26-11)15(23)7-5-10(20)14(22)17(25)13(7)21/h1-5,24-25H.
What are the key properties of [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 419.21 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichloro-4-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).