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

C19H13ClF2O3S — CID 122652936

IUPAC[5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl
InChIInChI=1S/C19H13ClF2O3S/c1-9-7-10(8-11(20)19(9)25-2)14-5-6-15(26-14)18(24)16-12(21)3-4-13(23)17(16)22/h3-8,23H,1-2H3
InChIKeyYVYVHDARDZKFHG-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.60
Rot. Bonds4

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

[5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 122652936) has the molecular formula C19H13ClF2O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID122652936
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name[5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl
InChIInChI=1S/C19H13ClF2O3S/c1-9-7-10(8-11(20)19(9)25-2)14-5-6-15(26-14)18(24)16-12(21)3-4-13(23)17(16)22/h3-8,23H,1-2H3
InChIKeyYVYVHDARDZKFHG-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

Analyze [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 122652936) is [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is COc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is YVYVHDARDZKFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-9-7-10(8-11(20)19(9)25-2)14-5-6-15(26-14)18(24)16-12(21)3-4-13(23)17(16)22/h3-8,23H,1-2H3.
What are the key properties of [5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-(3-chloro-4-methoxy-5-methylphenyl)thiophen-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-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).