1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone

C13H12O3S — CID 64639348

IUPAC1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1ccco1
InChIInChI=1S/C13H12O3S/c1-10-5-2-3-7-13(10)17(15)9-11(14)12-6-4-8-16-12/h2-8H,9H2,1H3
InChIKeyFUOYSZXAUBLVCD-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.58
Rot. Bonds4

About 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone

1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone (PubChem CID 64639348) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
PubChem CID64639348
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1ccco1
InChIInChI=1S/C13H12O3S/c1-10-5-2-3-7-13(10)17(15)9-11(14)12-6-4-8-16-12/h2-8H,9H2,1H3
InChIKeyFUOYSZXAUBLVCD-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
CID 64636306
1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone
CID 60892791
3-(2-methylphenyl)sulfinylpropanoic acid
CID 61303171
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
CID 64639589
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone (CID 64639348) is 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone is Cc1ccccc1S(=O)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone?
The InChIKey is FUOYSZXAUBLVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-10-5-2-3-7-13(10)17(15)9-11(14)12-6-4-8-16-12/h2-8H,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone?
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone has a molecular weight of 248.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64639348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).