1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene

C16H18O3S — CID 76511593

IUPAC1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene
SMILESCOc1ccc(C)c(S(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C16H18O3S/c1-11-5-8-13(9-6-11)20(17)16-12(2)7-10-14(18-3)15(16)19-4/h5-10H,1-4H3
InChIKeyGXRMDUFZZZUWQM-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.49
Rot. Bonds4

About 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene

1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene (PubChem CID 76511593) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene
PubChem CID76511593
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene
SMILESCOc1ccc(C)c(S(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C16H18O3S/c1-11-5-8-13(9-6-11)20(17)16-12(2)7-10-14(18-3)15(16)19-4/h5-10H,1-4H3
InChIKeyGXRMDUFZZZUWQM-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene?
The IUPAC name of 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene (CID 76511593) is 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene.
What is the SMILES notation for 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene?
The canonical SMILES for 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene is COc1ccc(C)c(S(=O)c2ccc(C)cc2)c1OC.
What is the InChIKey of 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene?
The InChIKey is GXRMDUFZZZUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-11-5-8-13(9-6-11)20(17)16-12(2)7-10-14(18-3)15(16)19-4/h5-10H,1-4H3.
What are the key properties of 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene?
1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene has a molecular weight of 290.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene is sourced from PubChem (CID 76511593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).