2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one

C15H18O2S — CID 122375916

IUPAC2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one
SMILESCC(C)C(=O)c1cc(-c2cccs2)oc1C(C)C
InChIInChI=1S/C15H18O2S/c1-9(2)14(16)11-8-12(13-6-5-7-18-13)17-15(11)10(3)4/h5-10H,1-4H3
InChIKeyBKFIGZGWCSVLHA-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.97
Rot. Bonds4

About 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one

2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one (PubChem CID 122375916) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one
PubChem CID122375916
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one
SMILESCC(C)C(=O)c1cc(-c2cccs2)oc1C(C)C
InChIInChI=1S/C15H18O2S/c1-9(2)14(16)11-8-12(13-6-5-7-18-13)17-15(11)10(3)4/h5-10H,1-4H3
InChIKeyBKFIGZGWCSVLHA-UHFFFAOYSA-N
XLogP4.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one (CID 122375916) is 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one is CC(C)C(=O)c1cc(-c2cccs2)oc1C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one?
The InChIKey is BKFIGZGWCSVLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-9(2)14(16)11-8-12(13-6-5-7-18-13)17-15(11)10(3)4/h5-10H,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one?
2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one has a molecular weight of 262.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yl-5-thiophen-2-ylfuran-3-yl)propan-1-one is sourced from PubChem (CID 122375916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).