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

C18H11F3O3S — CID 122652976

IUPAC[5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESCOc1ccccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1
InChIInChI=1S/C18H11F3O3S/c1-24-12-5-3-2-4-9(12)13-6-7-14(25-13)17(22)10-8-11(19)16(21)18(23)15(10)20/h2-8,23H,1H3
InChIKeyCLIKNSSSHWQRMI-UHFFFAOYSA-N
MW364.34 g/mol
LogP4.78
Rot. Bonds4

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

[5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652976) has the molecular formula C18H11F3O3S and a molecular weight of 364.34 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652976
Molecular FormulaC18H11F3O3S
Molecular Weight364.34 g/mol
Exact Mass364.04
IUPAC Name[5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESCOc1ccccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1
InChIInChI=1S/C18H11F3O3S/c1-24-12-5-3-2-4-9(12)13-6-7-14(25-13)17(22)10-8-11(19)16(21)18(23)15(10)20/h2-8,23H,1H3
InChIKeyCLIKNSSSHWQRMI-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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Related Compounds

[5-(4-Hydroxy-3,5-dimethylphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652933
[5-(3-Chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652936
(2,6-Difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
CID 122652945
(2,6-Difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
CID 122652946
[5-(4-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652962
(5-Phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652985
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652998
[5-(2-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653018
2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone
CID 44543407
(3-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840059
(4-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840060
(2-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840061

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652976) is [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is COc1ccccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1.
What is the InChIKey of [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is CLIKNSSSHWQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O3S/c1-24-12-5-3-2-4-9(12)13-6-7-14(25-13)17(22)10-8-11(19)16(21)18(23)15(10)20/h2-8,23H,1H3.
What are the key properties of [5-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(2-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-(2-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).