(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

C13H10Cl2OS — CID 81157333

IUPAC(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H10Cl2OS/c1-7-5-8(2)17-13(7)12(16)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3
InChIKeyFUGKGHAQXKPGFO-UHFFFAOYSA-N
MW285.19 g/mol
LogP4.90
Rot. Bonds2

About (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 81157333) has the molecular formula C13H10Cl2OS and a molecular weight of 285.19 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID81157333
Molecular FormulaC13H10Cl2OS
Molecular Weight285.19 g/mol
Exact Mass283.98
IUPAC Name(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H10Cl2OS/c1-7-5-8(2)17-13(7)12(16)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3
InChIKeyFUGKGHAQXKPGFO-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-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156620
(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 13113637
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
CID 81157445
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 81160018
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
3,5-dimethylthiophene-2-carboxylic acid
CID 819558

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (CID 81157333) is (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is FUGKGHAQXKPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS/c1-7-5-8(2)17-13(7)12(16)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3.
What are the key properties of (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
(2,5-dichlorophenyl)-(3,5-dimethylthiophen-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 (2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 81157333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).