4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one

C17H14O2S — CID 14004446

IUPAC4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one
SMILESCC1=C(Sc2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C17H14O2S/c1-12-16(20-14-10-6-3-7-11-14)15(19-17(12)18)13-8-4-2-5-9-13/h2-11,15H,1H3
InChIKeyOHOVPZUXQKJNOR-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.35
Rot. Bonds3

About 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one

4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one (PubChem CID 14004446) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one
PubChem CID14004446
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one
SMILESCC1=C(Sc2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C17H14O2S/c1-12-16(20-14-10-6-3-7-11-14)15(19-17(12)18)13-8-4-2-5-9-13/h2-11,15H,1H3
InChIKeyOHOVPZUXQKJNOR-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 141356262
4-chloro-3-(2-methylpropylsulfanyl)-2-phenyl-2H-furan-5-one
CID 13295202
3,4-dimethyl-2-phenylsulfanyl-2H-furan-5-one
CID 140674094
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
4-chloro-2-phenyl-3-propylsulfanyl-2H-furan-5-one
CID 13295221
3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
CID 44605460
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
6-ethyl-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione
CID 3008267
5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione
CID 102146134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one (CID 14004446) is 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one is CC1=C(Sc2ccccc2)C(c2ccccc2)OC1=O.
What is the InChIKey of 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one?
The InChIKey is OHOVPZUXQKJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-12-16(20-14-10-6-3-7-11-14)15(19-17(12)18)13-8-4-2-5-9-13/h2-11,15H,1H3.
What are the key properties of 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one?
4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one has a molecular weight of 282.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 14004446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).