(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone

C13H10Cl2OS — CID 80645435

IUPAC(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2sccc2Cl)c(C)cc1Cl
InChIInChI=1S/C13H10Cl2OS/c1-7-6-11(15)8(2)5-9(7)12(16)13-10(14)3-4-17-13/h3-6H,1-2H3
InChIKeyZOHIVNPMKJRYIZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP4.90
Rot. Bonds2

About (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone

(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80645435) has the molecular formula C13H10Cl2OS and a molecular weight of 285.19 g/mol. Its IUPAC name is (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80645435
Molecular FormulaC13H10Cl2OS
Molecular Weight285.19 g/mol
Exact Mass283.98
IUPAC Name(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2sccc2Cl)c(C)cc1Cl
InChIInChI=1S/C13H10Cl2OS/c1-7-6-11(15)8(2)5-9(7)12(16)13-10(14)3-4-17-13/h3-6H,1-2H3
InChIKeyZOHIVNPMKJRYIZ-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 80644952
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 103298379
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 107987212
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone (CID 80645435) is (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone is Cc1cc(C(=O)c2sccc2Cl)c(C)cc1Cl.
What is the InChIKey of (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is ZOHIVNPMKJRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS/c1-7-6-11(15)8(2)5-9(7)12(16)13-10(14)3-4-17-13/h3-6H,1-2H3.
What are the key properties of (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone?
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 285.19 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80645435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).