1-ethylsulfonyl-4-methoxy-2-methylbenzene

C10H14O3S — CID 69494919

IUPAC1-ethylsulfonyl-4-methoxy-2-methylbenzene
SMILESCCS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C10H14O3S/c1-4-14(11,12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3
InChIKeyDTYVTWXRFYRAAO-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.80
Rot. Bonds3

About 1-ethylsulfonyl-4-methoxy-2-methylbenzene

1-ethylsulfonyl-4-methoxy-2-methylbenzene (PubChem CID 69494919) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methoxy-2-methylbenzene
PubChem CID69494919
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-ethylsulfonyl-4-methoxy-2-methylbenzene
SMILESCCS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C10H14O3S/c1-4-14(11,12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3
InChIKeyDTYVTWXRFYRAAO-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-methylphenyl)sulfonylmethanamine
CID 117036101
3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036267
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
[4-(4-methoxy-2-methylphenyl)sulfonyl-3-methylphenyl] acetate
CID 89408239
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-methoxy-2-methylbenzene?
The IUPAC name of 1-ethylsulfonyl-4-methoxy-2-methylbenzene (CID 69494919) is 1-ethylsulfonyl-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-ethylsulfonyl-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-ethylsulfonyl-4-methoxy-2-methylbenzene is CCS(=O)(=O)c1ccc(OC)cc1C.
What is the InChIKey of 1-ethylsulfonyl-4-methoxy-2-methylbenzene?
The InChIKey is DTYVTWXRFYRAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-4-14(11,12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-methoxy-2-methylbenzene?
1-ethylsulfonyl-4-methoxy-2-methylbenzene has a molecular weight of 214.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methoxy-2-methylbenzene is sourced from PubChem (CID 69494919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).