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

C18H11F3O3S — CID 122652904

IUPAC[5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESCOc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1
InChIInChI=1S/C18H11F3O3S/c1-24-10-4-2-3-9(7-10)13-5-6-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3
InChIKeyMZCMRLOLSMOIFF-UHFFFAOYSA-N
MW364.34 g/mol
LogP4.78
Rot. Bonds4

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

[5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652904) has the molecular formula C18H11F3O3S and a molecular weight of 364.34 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652904
Molecular FormulaC18H11F3O3S
Molecular Weight364.34 g/mol
Exact Mass364.04
IUPAC Name[5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESCOc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1
InChIInChI=1S/C18H11F3O3S/c1-24-10-4-2-3-9(7-10)13-5-6-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3
InChIKeyMZCMRLOLSMOIFF-UHFFFAOYSA-N
XLogP4.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652904) is [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is COc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is MZCMRLOLSMOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O3S/c1-24-10-4-2-3-9(7-10)13-5-6-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3.
What are the key properties of [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 364.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).