2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone

C22H24O4S — CID 143844967

IUPAC2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1OC.Cc1ccccc1-c1cccs1
InChIInChI=1S/C11H14O4.C11H10S/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;1-9-5-2-3-6-10(9)11-7-4-8-12-11/h5-6H,1-4H3;2-8H,1H3
InChIKeyUVOXGJSIRRKDKN-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.64
Rot. Bonds5

About 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone

2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 143844967) has the molecular formula C22H24O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID143844967
Molecular FormulaC22H24O4S
Molecular Weight384.50 g/mol
Exact Mass384.14
IUPAC Name2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1OC.Cc1ccccc1-c1cccs1
InChIInChI=1S/C11H14O4.C11H10S/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;1-9-5-2-3-6-10(9)11-7-4-8-12-11/h5-6H,1-4H3;2-8H,1H3
InChIKeyUVOXGJSIRRKDKN-UHFFFAOYSA-N
XLogP5.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 1277418
3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
CID 16768846
2-methoxy-5-methyl-4-thiophen-2-ylaniline
CID 90752833
ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 126601197
5-[(E)-3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 59125674
5-[3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 72523989
[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155550802
1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone
CID 58615706
2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone
CID 58318517
(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11546673
2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3309651

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone (CID 143844967) is 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(C)=O)cc(OC)c1OC.Cc1ccccc1-c1cccs1.
What is the InChIKey of 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is UVOXGJSIRRKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4.C11H10S/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;1-9-5-2-3-6-10(9)11-7-4-8-12-11/h5-6H,1-4H3;2-8H,1H3.
What are the key properties of 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone?
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 384.50 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 143844967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).