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

C18H11ClF2O3S — CID 122652958

IUPAC[5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl
InChIInChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3
InChIKeyDLLRURWSLAEFFE-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.29
Rot. Bonds4

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

[5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 122652958) has the molecular formula C18H11ClF2O3S and a molecular weight of 380.80 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID122652958
Molecular FormulaC18H11ClF2O3S
Molecular Weight380.80 g/mol
Exact Mass380.01
IUPAC Name[5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl
InChIInChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3
InChIKeyDLLRURWSLAEFFE-UHFFFAOYSA-N
XLogP5.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-chloro-4-methoxyphenyl)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

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-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652970

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 122652958) is [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is COc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is DLLRURWSLAEFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3.
What are the key properties of [5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-(3-chloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 380.80 g/mol, XLogP of 5.29, 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)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).