[5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone

C19H13ClF2O3S — CID 122653028

IUPAC[5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1ccc(-c2sc(C(=O)c3c(F)ccc(O)c3F)cc2C)cc1Cl
InChIInChI=1S/C19H13ClF2O3S/c1-9-7-15(18(24)16-12(21)4-5-13(23)17(16)22)26-19(9)10-3-6-14(25-2)11(20)8-10/h3-8,23H,1-2H3
InChIKeyUYCIPFBWSQMAFL-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.60
Rot. Bonds4

About [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone

[5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 122653028) has the molecular formula C19H13ClF2O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID122653028
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name[5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1ccc(-c2sc(C(=O)c3c(F)ccc(O)c3F)cc2C)cc1Cl
InChIInChI=1S/C19H13ClF2O3S/c1-9-7-15(18(24)16-12(21)4-5-13(23)17(16)22)26-19(9)10-3-6-14(25-2)11(20)8-10/h3-8,23H,1-2H3
InChIKeyUYCIPFBWSQMAFL-UHFFFAOYSA-N
XLogP5.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-Chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 91820627
(6-Chloro-2-fluoro-3-hydroxyphenyl)-[5-(3,5-dichloro-4-methoxyphenyl)thiophen-2-yl]methanone
CID 122652894
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652898
[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
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652998
[5-(3-Chloro-4-hydroxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122653002
[5-(3-Chloro-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840196
[5-(3-Methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652904
[5-(4-Methoxy-3,5-dimethylphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652915
[5-(4-Methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652930
[5-(3-Chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652958

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 122653028) is [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is COc1ccc(-c2sc(C(=O)c3c(F)ccc(O)c3F)cc2C)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is UYCIPFBWSQMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-9-7-15(18(24)16-12(21)4-5-13(23)17(16)22)26-19(9)10-3-6-14(25-2)11(20)8-10/h3-8,23H,1-2H3.
What are the key properties of [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 394.83 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methoxyphenyl)-4-methylthiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122653028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).