(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone

C13H12O2S — CID 43463880

IUPAC(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
SMILESCOc1ccc(C(=O)c2ccsc2)cc1C
InChIInChI=1S/C13H12O2S/c1-9-7-10(3-4-12(9)15-2)13(14)11-5-6-16-8-11/h3-8H,1-2H3
InChIKeySNNFNHGVZJXSQX-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.30
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone

(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone (PubChem CID 43463880) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
PubChem CID43463880
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
SMILESCOc1ccc(C(=O)c2ccsc2)cc1C
InChIInChI=1S/C13H12O2S/c1-9-7-10(3-4-12(9)15-2)13(14)11-5-6-16-8-11/h3-8H,1-2H3
InChIKeySNNFNHGVZJXSQX-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

(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
CID 54181857
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
4-methoxy-3-methylbenzoyl cyanide
CID 116918931
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
CID 114975240
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 94699536

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone (CID 43463880) is (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone is COc1ccc(C(=O)c2ccsc2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone?
The InChIKey is SNNFNHGVZJXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9-7-10(3-4-12(9)15-2)13(14)11-5-6-16-8-11/h3-8H,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone?
(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone 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-methoxy-3-methylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 43463880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).