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

C17H9F3O3S — CID 122653018

IUPAC[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2O)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H
InChIKeySZLCWHOWZSWPCT-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.47
Rot. Bonds3

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

[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122653018) has the molecular formula C17H9F3O3S and a molecular weight of 350.32 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122653018
Molecular FormulaC17H9F3O3S
Molecular Weight350.32 g/mol
Exact Mass350.02
IUPAC Name[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2O)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H
InChIKeySZLCWHOWZSWPCT-UHFFFAOYSA-N
XLogP4.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122653018) is [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2ccccc2O)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is SZLCWHOWZSWPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H.
What are the key properties of [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 350.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122653018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).