(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

C13H10Cl2OS — CID 102762901

IUPAC(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C13H10Cl2OS/c1-7-3-9(6-10(14)4-7)12(16)11-5-8(2)13(15)17-11/h3-6H,1-2H3
InChIKeyPAMYHBLRBDBUHH-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.90
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102762901) has the molecular formula C13H10Cl2OS and a molecular weight of 285.20 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102762901
Molecular FormulaC13H10Cl2OS
Molecular Weight285.20 g/mol
Exact Mass283.98
IUPAC Name(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C13H10Cl2OS/c1-7-3-9(6-10(14)4-7)12(16)11-5-8(2)13(15)17-11/h3-6H,1-2H3
InChIKeyPAMYHBLRBDBUHH-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 ≤ 500285.20
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 81323467
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 81323702

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102762901) is (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(Cl)cc(C(=O)c2cc(C)c(Cl)s2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is PAMYHBLRBDBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS/c1-7-3-9(6-10(14)4-7)12(16)11-5-8(2)13(15)17-11/h3-6H,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 285.20 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 (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102762901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).