(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone

C15H16O4S — CID 102839751

IUPAC(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccsc2C)c(OC)c1OC
InChIInChI=1S/C15H16O4S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8H,1-4H3
InChIKeyRHOAOOWEOGGBTM-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.31
Rot. Bonds5

About (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone

(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 102839751) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID102839751
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccsc2C)c(OC)c1OC
InChIInChI=1S/C15H16O4S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8H,1-4H3
InChIKeyRHOAOOWEOGGBTM-UHFFFAOYSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-methylthiophen-3-yl)methanone
CID 101441488
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone
CID 19812692
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
4-methoxy-1-benzothiophene-7-carboxylic acid
CID 18784114
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-one
CID 43588937
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 102839751) is (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccsc2C)c(OC)c1OC.
What is the InChIKey of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is RHOAOOWEOGGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8H,1-4H3.
What are the key properties of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone?
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 292.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 102839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).