(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone

C16H16O3S — CID 43338338

IUPAC(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16O3S/c1-3-12-4-6-13(7-5-12)16(17)14-8-10-15(11-9-14)20(2,18)19/h4-11H,3H2,1-2H3
InChIKeyDEKJQMLAKZIKGX-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.88
Rot. Bonds4

About (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone

(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 43338338) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID43338338
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16O3S/c1-3-12-4-6-13(7-5-12)16(17)14-8-10-15(11-9-14)20(2,18)19/h4-11H,3H2,1-2H3
InChIKeyDEKJQMLAKZIKGX-UHFFFAOYSA-N
XLogP2.88
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-methylsulfonylbenzene
CID 143759723
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
(4-ethylphenyl)-phenylmethanone;uranium
CID 163515743
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
ethyl 4-(4-methylsulfonylphenyl)benzoate
CID 122488161
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
barium(2+);bis(4-ethylbenzoate)
CID 101299929
potassium 4-ethylbenzoate
CID 23708087

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone (CID 43338338) is (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone is CCc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is DEKJQMLAKZIKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-3-12-4-6-13(7-5-12)16(17)14-8-10-15(11-9-14)20(2,18)19/h4-11H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone?
(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 288.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 43338338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).