2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone

C17H20O2S — CID 114967861

IUPAC2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20O2S/c1-17(2,3)13-7-5-12(6-8-13)11-14(18)16-15(19-4)9-10-20-16/h5-10H,11H2,1-4H3
InChIKeyXUTYXAITVADKBT-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone

2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone (PubChem CID 114967861) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
PubChem CID114967861
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20O2S/c1-17(2,3)13-7-5-12(6-8-13)11-14(18)16-15(19-4)9-10-20-16/h5-10H,11H2,1-4H3
InChIKeyXUTYXAITVADKBT-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
1-(3-methoxythiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969997
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
CID 158812544
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115800936
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one
CID 87941456

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone (CID 114967861) is 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone is COc1ccsc1C(=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The InChIKey is XUTYXAITVADKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-17(2,3)13-7-5-12(6-8-13)11-14(18)16-15(19-4)9-10-20-16/h5-10H,11H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone has a molecular weight of 288.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 114967861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).