methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene

C18H24O4S — CID 159836116

IUPACmethane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
SMILESC.COCOc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H20O4S.CH4/c1-12-5-6-15(9-13(12)2)22(18,19)16-7-8-17(14(3)10-16)21-11-20-4;/h5-10H,11H2,1-4H3;1H4
InChIKeyNOCDMUWPWNKKRV-UHFFFAOYSA-N
MW336.45 g/mol
LogP4.06
Rot. Bonds5

About methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene

methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene (PubChem CID 159836116) has the molecular formula C18H24O4S and a molecular weight of 336.45 g/mol. Its IUPAC name is methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene.

Molecular Properties

Compound Namemethane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
PubChem CID159836116
Molecular FormulaC18H24O4S
Molecular Weight336.45 g/mol
Exact Mass336.14
IUPAC Namemethane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
SMILESC.COCOc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H20O4S.CH4/c1-12-5-6-15(9-13(12)2)22(18,19)16-7-8-17(14(3)10-16)21-11-20-4;/h5-10H,11H2,1-4H3;1H4
InChIKeyNOCDMUWPWNKKRV-UHFFFAOYSA-N
XLogP4.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene?
The IUPAC name of methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene (CID 159836116) is methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene.
What is the SMILES notation for methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene?
The canonical SMILES for methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene is C.COCOc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene?
The InChIKey is NOCDMUWPWNKKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S.CH4/c1-12-5-6-15(9-13(12)2)22(18,19)16-7-8-17(14(3)10-16)21-11-20-4;/h5-10H,11H2,1-4H3;1H4.
What are the key properties of methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene?
methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene has a molecular weight of 336.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene is sourced from PubChem (CID 159836116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).