1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene

C22H22O4S — CID 176847126

IUPAC1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
SMILESCOCc1ccc(COc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O4S/c1-17-3-11-21(12-4-17)27(23,24)22-13-9-20(10-14-22)26-16-19-7-5-18(6-8-19)15-25-2/h3-14H,15-16H2,1-2H3
InChIKeyVQNLUYKDGWPUKM-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.55
Rot. Bonds7

About 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene

1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene (PubChem CID 176847126) has the molecular formula C22H22O4S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
PubChem CID176847126
Molecular FormulaC22H22O4S
Molecular Weight382.48 g/mol
Exact Mass382.12
IUPAC Name1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
SMILESCOCc1ccc(COc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O4S/c1-17-3-11-21(12-4-17)27(23,24)22-13-9-20(10-14-22)26-16-19-7-5-18(6-8-19)15-25-2/h3-14H,15-16H2,1-2H3
InChIKeyVQNLUYKDGWPUKM-UHFFFAOYSA-N
XLogP4.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
trimethyl-[2-methyl-4-[4-[[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]methyl]phenyl]butan-2-yl]oxysilane
CID 58969726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene (CID 176847126) is 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene is COCc1ccc(COc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene?
The InChIKey is VQNLUYKDGWPUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4S/c1-17-3-11-21(12-4-17)27(23,24)22-13-9-20(10-14-22)26-16-19-7-5-18(6-8-19)15-25-2/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene?
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene has a molecular weight of 382.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 176847126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).