2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene

C20H26O4S2 — CID 10810657

IUPAC2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene
SMILESCOCOc1c(C)cc(-c2cc(SC)c(OCOC)c(SC)c2)cc1C
InChIInChI=1S/C20H26O4S2/c1-13-7-15(8-14(2)19(13)23-11-21-3)16-9-17(25-5)20(24-12-22-4)18(10-16)26-6/h7-10H,11-12H2,1-6H3
InChIKeyZURWQDJPJCUZME-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.38
Rot. Bonds9

About 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene

2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene (PubChem CID 10810657) has the molecular formula C20H26O4S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene
PubChem CID10810657
Molecular FormulaC20H26O4S2
Molecular Weight394.56 g/mol
Exact Mass394.13
IUPAC Name2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene
SMILESCOCOc1c(C)cc(-c2cc(SC)c(OCOC)c(SC)c2)cc1C
InChIInChI=1S/C20H26O4S2/c1-13-7-15(8-14(2)19(13)23-11-21-3)16-9-17(25-5)20(24-12-22-4)18(10-16)26-6/h7-10H,11-12H2,1-6H3
InChIKeyZURWQDJPJCUZME-UHFFFAOYSA-N
XLogP5.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 65365718
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3,5-dimethylphenyl]sulfinyl-3,5-dimethylbenzene
CID 129210103
[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
CID 164717649
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine
CID 118420542
5-bromo-2-(methoxymethoxy)-3-methylaniline
CID 79844363
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751
6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine
CID 91192685
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
CID 130714606

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene?
The IUPAC name of 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene (CID 10810657) is 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene is COCOc1c(C)cc(-c2cc(SC)c(OCOC)c(SC)c2)cc1C.
What is the InChIKey of 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene?
The InChIKey is ZURWQDJPJCUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4S2/c1-13-7-15(8-14(2)19(13)23-11-21-3)16-9-17(25-5)20(24-12-22-4)18(10-16)26-6/h7-10H,11-12H2,1-6H3.
What are the key properties of 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene?
2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene has a molecular weight of 394.56 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene is sourced from PubChem (CID 10810657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).