1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene

C15H16O3S — CID 58902832

IUPAC1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
SMILESCOc1ccc(-c2ccccc2S(C)(=O)=O)cc1C
InChIInChI=1S/C15H16O3S/c1-11-10-12(8-9-14(11)18-2)13-6-4-5-7-15(13)19(3,16)17/h4-10H,1-3H3
InChIKeySPLKDHYAOKUPRM-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.07
Rot. Bonds3

About 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene

1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene (PubChem CID 58902832) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
PubChem CID58902832
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
SMILESCOc1ccc(-c2ccccc2S(C)(=O)=O)cc1C
InChIInChI=1S/C15H16O3S/c1-11-10-12(8-9-14(11)18-2)13-6-4-5-7-15(13)19(3,16)17/h4-10H,1-3H3
InChIKeySPLKDHYAOKUPRM-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 67654311
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
1-chloro-2-methyl-4-[2-(2-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917399
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
4-(2-methylsulfonylphenyl)benzonitrile
CID 22323113
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene?
The IUPAC name of 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene (CID 58902832) is 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene is COc1ccc(-c2ccccc2S(C)(=O)=O)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene?
The InChIKey is SPLKDHYAOKUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-11-10-12(8-9-14(11)18-2)13-6-4-5-7-15(13)19(3,16)17/h4-10H,1-3H3.
What are the key properties of 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene?
1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene has a molecular weight of 276.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene is sourced from PubChem (CID 58902832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).