(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone

C12H7Cl3OS — CID 81323467

IUPAC(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H7Cl3OS/c1-6-2-7(4-8(13)3-6)11(16)9-5-10(14)17-12(9)15/h2-5H,1H3
InChIKeyHPMBLHDWHNLGFW-UHFFFAOYSA-N
MW305.61 g/mol
LogP5.25
Rot. Bonds2

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

(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 81323467) has the molecular formula C12H7Cl3OS and a molecular weight of 305.61 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID81323467
Molecular FormulaC12H7Cl3OS
Molecular Weight305.61 g/mol
Exact Mass303.93
IUPAC Name(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H7Cl3OS/c1-6-2-7(4-8(13)3-6)11(16)9-5-10(14)17-12(9)15/h2-5H,1H3
InChIKeyHPMBLHDWHNLGFW-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.61
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
CID 43344745
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
(5-chloro-2-hydroxyphenyl)-(3-chloro-5-methylphenyl)methanone
CID 11594340
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107998276
(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43344718
(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
CID 43463797

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 81323467) is (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone is Cc1cc(Cl)cc(C(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is HPMBLHDWHNLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3OS/c1-6-2-7(4-8(13)3-6)11(16)9-5-10(14)17-12(9)15/h2-5H,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 305.61 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 81323467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).