(2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone

C20H16F2O3S — CID 122652945

IUPAC(2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
SMILESCOc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1C
InChIInChI=1S/C20H16F2O3S/c1-10-8-12(9-11(2)20(10)25-3)15-6-7-16(26-15)19(24)17-13(21)4-5-14(23)18(17)22/h4-9,23H,1-3H3
InChIKeyUAGQSJYIJCFGJT-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.26
Rot. Bonds4

About (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone

(2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone (PubChem CID 122652945) has the molecular formula C20H16F2O3S and a molecular weight of 374.41 g/mol. Its IUPAC name is (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
PubChem CID122652945
Molecular FormulaC20H16F2O3S
Molecular Weight374.41 g/mol
Exact Mass374.08
IUPAC Name(2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
SMILESCOc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1C
InChIInChI=1S/C20H16F2O3S/c1-10-8-12(9-11(2)20(10)25-3)15-6-7-16(26-15)19(24)17-13(21)4-5-14(23)18(17)22/h4-9,23H,1-3H3
InChIKeyUAGQSJYIJCFGJT-UHFFFAOYSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
The IUPAC name of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone (CID 122652945) is (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone is COc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1C.
What is the InChIKey of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
The InChIKey is UAGQSJYIJCFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O3S/c1-10-8-12(9-11(2)20(10)25-3)15-6-7-16(26-15)19(24)17-13(21)4-5-14(23)18(17)22/h4-9,23H,1-3H3.
What are the key properties of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
(2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone has a molecular weight of 374.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-hydroxyphenyl)-[5-(4-methoxy-3,5-dimethylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 122652945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).