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

C13H12OS — CID 65099870

IUPAC(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccccc2C)cs1
InChIInChI=1S/C13H12OS/c1-9-5-3-4-6-12(9)13(14)11-7-10(2)15-8-11/h3-8H,1-2H3
InChIKeyUYMUZRZIQYTDHH-UHFFFAOYSA-N
MW216.30 g/mol
LogP3.60
Rot. Bonds2

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

(2-methylphenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 65099870) has the molecular formula C13H12OS and a molecular weight of 216.30 g/mol. Its IUPAC name is (2-methylphenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID65099870
Molecular FormulaC13H12OS
Molecular Weight216.30 g/mol
Exact Mass216.06
IUPAC Name(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccccc2C)cs1
InChIInChI=1S/C13H12OS/c1-9-5-3-4-6-12(9)13(14)11-7-10(2)15-8-11/h3-8H,1-2H3
InChIKeyUYMUZRZIQYTDHH-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
CID 114976117
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (2-methylphenyl)-(5-methylthiophen-3-yl)methanone (CID 65099870) is (2-methylphenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccccc2C)cs1.
What is the InChIKey of (2-methylphenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is UYMUZRZIQYTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-9-5-3-4-6-12(9)13(14)11-7-10(2)15-8-11/h3-8H,1-2H3.
What are the key properties of (2-methylphenyl)-(5-methylthiophen-3-yl)methanone?
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 216.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 65099870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).