(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone

C13H12O2S — CID 81127341

IUPAC(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
SMILESCOc1csc(C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C13H12O2S/c1-9-3-5-10(6-4-9)13(14)12-7-11(15-2)8-16-12/h3-8H,1-2H3
InChIKeyZSOGKAONLCCIQF-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.30
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone

(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone (PubChem CID 81127341) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
PubChem CID81127341
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
SMILESCOc1csc(C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C13H12O2S/c1-9-3-5-10(6-4-9)13(14)12-7-11(15-2)8-16-12/h3-8H,1-2H3
InChIKeyZSOGKAONLCCIQF-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
CID 115790453
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
CID 170851479

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone (CID 81127341) is (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone is COc1csc(C(=O)c2ccc(C)cc2)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone?
The InChIKey is ZSOGKAONLCCIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9-3-5-10(6-4-9)13(14)12-7-11(15-2)8-16-12/h3-8H,1-2H3.
What are the key properties of (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone?
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone has a molecular weight of 232.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 81127341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).