(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone

C13H9Cl3O3S — CID 107959921

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cc(Cl)sc2Cl)cc1OC
InChIInChI=1S/C13H9Cl3O3S/c1-18-9-3-6(8(14)5-10(9)19-2)12(17)7-4-11(15)20-13(7)16/h3-5H,1-2H3
InChIKeyFZSRERCWCPXRLB-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.96
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone

(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107959921) has the molecular formula C13H9Cl3O3S and a molecular weight of 351.64 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107959921
Molecular FormulaC13H9Cl3O3S
Molecular Weight351.64 g/mol
Exact Mass349.93
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cc(Cl)sc2Cl)cc1OC
InChIInChI=1S/C13H9Cl3O3S/c1-18-9-3-6(8(14)5-10(9)19-2)12(17)7-4-11(15)20-13(7)16/h3-5H,1-2H3
InChIKeyFZSRERCWCPXRLB-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 115950897
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 107959921) is (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone is COc1cc(Cl)c(C(=O)c2cc(Cl)sc2Cl)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is FZSRERCWCPXRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O3S/c1-18-9-3-6(8(14)5-10(9)19-2)12(17)7-4-11(15)20-13(7)16/h3-5H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 351.64 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107959921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).