1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one

C14H14O2S — CID 107781253

IUPAC1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one
SMILESCc1occc1SCC(=O)Cc1ccccc1
InChIInChI=1S/C14H14O2S/c1-11-14(7-8-16-11)17-10-13(15)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyFTUNYKJUEDNQSQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one

1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one (PubChem CID 107781253) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one
PubChem CID107781253
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one
SMILESCc1occc1SCC(=O)Cc1ccccc1
InChIInChI=1S/C14H14O2S/c1-11-14(7-8-16-11)17-10-13(15)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyFTUNYKJUEDNQSQ-UHFFFAOYSA-N
XLogP3.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
(Z)-3-methyl-4-(2-methylfuran-3-yl)sulfanylbut-2-enoic acid
CID 107779015
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
2-(2-methylfuran-3-yl)sulfanyl-1-(1-methylpyrrol-2-yl)ethanone
CID 86799287
2,2-dimethyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779028
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-[4-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 75451615
6-(2-methylfuran-3-yl)sulfanylhexan-3-one
CID 104922699
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 107781186

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one?
The IUPAC name of 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one (CID 107781253) is 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one?
The canonical SMILES for 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one is Cc1occc1SCC(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one?
The InChIKey is FTUNYKJUEDNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-11-14(7-8-16-11)17-10-13(15)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one?
1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one has a molecular weight of 246.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)sulfanyl-3-phenylpropan-2-one is sourced from PubChem (CID 107781253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).