1-ethoxy-4-ethylsulfonylbenzene

C10H14O3S — CID 12846221

IUPAC1-ethoxy-4-ethylsulfonylbenzene
SMILESCCOc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C10H14O3S/c1-3-13-9-5-7-10(8-6-9)14(11,12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyKCOVXRMFESUCFI-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.88
Rot. Bonds4

About 1-ethoxy-4-ethylsulfonylbenzene

1-ethoxy-4-ethylsulfonylbenzene (PubChem CID 12846221) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-ethoxy-4-ethylsulfonylbenzene.

Molecular Properties

Compound Name1-ethoxy-4-ethylsulfonylbenzene
PubChem CID12846221
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-ethoxy-4-ethylsulfonylbenzene
SMILESCCOc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C10H14O3S/c1-3-13-9-5-7-10(8-6-9)14(11,12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyKCOVXRMFESUCFI-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxybenzenesulfonic acid
CID 7013020
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
3-(4-ethylsulfonylphenoxy)propanenitrile
CID 158725112
4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
CID 3050823
(4-ethoxyphenyl)sulfonylformamide
CID 117038031
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
methyl (4-ethoxyphenyl)sulfonylformate
CID 117037047
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethylsulfonylbenzene?
The IUPAC name of 1-ethoxy-4-ethylsulfonylbenzene (CID 12846221) is 1-ethoxy-4-ethylsulfonylbenzene.
What is the SMILES notation for 1-ethoxy-4-ethylsulfonylbenzene?
The canonical SMILES for 1-ethoxy-4-ethylsulfonylbenzene is CCOc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 1-ethoxy-4-ethylsulfonylbenzene?
The InChIKey is KCOVXRMFESUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-3-13-9-5-7-10(8-6-9)14(11,12)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-4-ethylsulfonylbenzene?
1-ethoxy-4-ethylsulfonylbenzene has a molecular weight of 214.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethylsulfonylbenzene is sourced from PubChem (CID 12846221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).