1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one

C17H20O2S — CID 105097435

IUPAC1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCCc2cccs2)cc1
InChIInChI=1S/C17H20O2S/c1-13(2)19-15-10-8-14(9-11-15)17(18)7-3-5-16-6-4-12-20-16/h4,6,8-13H,3,5,7H2,1-2H3
InChIKeyULLKSKOSPOXQTP-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.74
Rot. Bonds7

About 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one

1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105097435) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
PubChem CID105097435
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCCc2cccs2)cc1
InChIInChI=1S/C17H20O2S/c1-13(2)19-15-10-8-14(9-11-15)17(18)7-3-5-16-6-4-12-20-16/h4,6,8-13H,3,5,7H2,1-2H3
InChIKeyULLKSKOSPOXQTP-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105124806
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105123969
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097418
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 100672361

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one (CID 105097435) is 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one is CC(C)Oc1ccc(C(=O)CCCc2cccs2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is ULLKSKOSPOXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-13(2)19-15-10-8-14(9-11-15)17(18)7-3-5-16-6-4-12-20-16/h4,6,8-13H,3,5,7H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one?
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 288.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105097435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).