1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one

C18H16O2S — CID 23824722

IUPAC1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)c2ccco2)c2cccs2)cc1
InChIInChI=1S/C18H16O2S/c1-13-6-8-14(9-7-13)15(18-5-3-11-21-18)12-16(19)17-4-2-10-20-17/h2-11,15H,12H2,1H3
InChIKeyPBEKRFHBLVBFSD-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.05
Rot. Bonds5

About 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one

1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 23824722) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID23824722
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)c2ccco2)c2cccs2)cc1
InChIInChI=1S/C18H16O2S/c1-13-6-8-14(9-7-13)15(18-5-3-11-21-18)12-16(19)17-4-2-10-20-17/h2-11,15H,12H2,1H3
InChIKeyPBEKRFHBLVBFSD-UHFFFAOYSA-N
XLogP5.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylacetic acid
CID 71680534
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
CID 14950540
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 3838226
(3S)-3-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 703237
ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
CID 129383270
(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
3-(4-chlorophenyl)-1-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 3133583
N-(furan-2-ylmethyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867058
2-acetamido-3-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylpropanoic acid
CID 4055211

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one (CID 23824722) is 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one is Cc1ccc(C(CC(=O)c2ccco2)c2cccs2)cc1.
What is the InChIKey of 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is PBEKRFHBLVBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-13-6-8-14(9-7-13)15(18-5-3-11-21-18)12-16(19)17-4-2-10-20-17/h2-11,15H,12H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one?
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 296.39 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 23824722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).