1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one

C17H20O3S — CID 114973274

IUPAC1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCc2cccs2)cc1OCC
InChIInChI=1S/C17H20O3S/c1-3-19-16-10-7-13(12-17(16)20-4-2)15(18)9-8-14-6-5-11-21-14/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKeyJLXGINIHBHAWSP-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.36
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one

1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 114973274) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID114973274
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCc2cccs2)cc1OCC
InChIInChI=1S/C17H20O3S/c1-3-19-16-10-7-13(12-17(16)20-4-2)15(18)9-8-14-6-5-11-21-14/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKeyJLXGINIHBHAWSP-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
1-(3-amino-4-chlorophenyl)-3-thiophen-2-ylpropan-1-one
CID 116552251
2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119180922
1-(3,4-diethoxyphenyl)pent-4-en-1-one
CID 114974982
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 30656026
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one (CID 114973274) is 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one is CCOc1ccc(C(=O)CCc2cccs2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is JLXGINIHBHAWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-3-19-16-10-7-13(12-17(16)20-4-2)15(18)9-8-14-6-5-11-21-14/h5-7,10-12H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one?
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 304.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 114973274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).