1-(2-ethoxyphenyl)-2-methylsulfonylethanone

C11H14O4S — CID 62784939

IUPAC1-(2-ethoxyphenyl)-2-methylsulfonylethanone
SMILESCCOc1ccccc1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H14O4S/c1-3-15-11-7-5-4-6-9(11)10(12)8-16(2,13)14/h4-7H,3,8H2,1-2H3
InChIKeyMTSHIIWOVGIFTC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.31
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-methylsulfonylethanone

1-(2-ethoxyphenyl)-2-methylsulfonylethanone (PubChem CID 62784939) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methylsulfonylethanone
PubChem CID62784939
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-(2-ethoxyphenyl)-2-methylsulfonylethanone
SMILESCCOc1ccccc1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H14O4S/c1-3-15-11-7-5-4-6-9(11)10(12)8-16(2,13)14/h4-7H,3,8H2,1-2H3
InChIKeyMTSHIIWOVGIFTC-UHFFFAOYSA-N
XLogP1.31
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxybenzoic acid;zinc
CID 172723273
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
CID 154414332
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-(methylsulfonylmethoxy)benzamide
CID 118665617

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methylsulfonylethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methylsulfonylethanone (CID 62784939) is 1-(2-ethoxyphenyl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methylsulfonylethanone is CCOc1ccccc1C(=O)CS(C)(=O)=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methylsulfonylethanone?
The InChIKey is MTSHIIWOVGIFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-3-15-11-7-5-4-6-9(11)10(12)8-16(2,13)14/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methylsulfonylethanone?
1-(2-ethoxyphenyl)-2-methylsulfonylethanone has a molecular weight of 242.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methylsulfonylethanone is sourced from PubChem (CID 62784939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).