1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene

C16H18O3S — CID 123756567

IUPAC1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene
SMILESCc1ccc(Oc2c(C)cc(C)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H18O3S/c1-11-5-7-14(8-6-11)19-16-13(3)9-12(2)10-15(16)20(4,17)18/h5-10H,1-4H3
InChIKeyFKJCNFJWZJGIAJ-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.81
Rot. Bonds3

About 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene

1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene (PubChem CID 123756567) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene.

Molecular Properties

Compound Name1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene
PubChem CID123756567
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene
SMILESCc1ccc(Oc2c(C)cc(C)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H18O3S/c1-11-5-7-14(8-6-11)19-16-13(3)9-12(2)10-15(16)20(4,17)18/h5-10H,1-4H3
InChIKeyFKJCNFJWZJGIAJ-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine
CID 163772048
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
2,4-dimethyl-6-methylsulfonylaniline
CID 23442810
methyl 4-(3-bromo-2,6-dimethyl-4-methylsulfonylphenoxy)benzoate
CID 175194519
methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane
CID 142802622
2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
CID 82090358
5-methyl-1,2,3-tris(methylsulfonyl)benzene
CID 91380016
1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene
CID 135062316
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
methyl 5-methyl-2-(4-methylsulfonylphenoxy)benzenesulfonate
CID 159087362
ethene;[2-methoxy-3-methyl-5-[2-[3-methyl-4-(4-methylphenoxy)-5-(sulfanylmethyl)phenyl]propan-2-yl]phenyl]methanethiol;1,4-xylene
CID 143168284

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene?
The IUPAC name of 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene (CID 123756567) is 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene.
What is the SMILES notation for 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene?
The canonical SMILES for 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene is Cc1ccc(Oc2c(C)cc(C)cc2S(C)(=O)=O)cc1.
What is the InChIKey of 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene?
The InChIKey is FKJCNFJWZJGIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-11-5-7-14(8-6-11)19-16-13(3)9-12(2)10-15(16)20(4,17)18/h5-10H,1-4H3.
What are the key properties of 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene?
1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene has a molecular weight of 290.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene is sourced from PubChem (CID 123756567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).