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

C19H14F2O3S — CID 122652946

IUPAC(2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(C)c1O
InChIInChI=1S/C19H14F2O3S/c1-9-7-11(8-10(2)18(9)23)14-5-6-15(25-14)19(24)16-12(20)3-4-13(22)17(16)21/h3-8,22-23H,1-2H3
InChIKeyWWRZTYAWJIMEKC-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.95
Rot. Bonds3

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

(2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone (PubChem CID 122652946) has the molecular formula C19H14F2O3S and a molecular weight of 360.38 g/mol. Its IUPAC name is (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
PubChem CID122652946
Molecular FormulaC19H14F2O3S
Molecular Weight360.38 g/mol
Exact Mass360.06
IUPAC Name(2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(C)c1O
InChIInChI=1S/C19H14F2O3S/c1-9-7-11(8-10(2)18(9)23)14-5-6-15(25-14)19(24)16-12(20)3-4-13(22)17(16)21/h3-8,22-23H,1-2H3
InChIKeyWWRZTYAWJIMEKC-UHFFFAOYSA-N
XLogP4.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
The IUPAC name of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone (CID 122652946) is (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone is Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(C)c1O.
What is the InChIKey of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
The InChIKey is WWRZTYAWJIMEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O3S/c1-9-7-11(8-10(2)18(9)23)14-5-6-15(25-14)19(24)16-12(20)3-4-13(22)17(16)21/h3-8,22-23H,1-2H3.
What are the key properties of (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone?
(2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone has a molecular weight of 360.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 122652946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).