1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene

C20H26O6S — CID 70144113

IUPAC1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(OC)(OC)SC(OC)(OC)c1ccccc1OC
InChIInChI=1S/C20H26O6S/c1-21-17-13-9-7-11-15(17)19(23-3,24-4)27-20(25-5,26-6)16-12-8-10-14-18(16)22-2/h7-14H,1-6H3
InChIKeyCUMRIXODEHCYMK-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.94
Rot. Bonds10

About 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene

1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene (PubChem CID 70144113) has the molecular formula C20H26O6S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene
PubChem CID70144113
Molecular FormulaC20H26O6S
Molecular Weight394.49 g/mol
Exact Mass394.15
IUPAC Name1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(OC)(OC)SC(OC)(OC)c1ccccc1OC
InChIInChI=1S/C20H26O6S/c1-21-17-13-9-7-11-15(17)19(23-3,24-4)27-20(25-5,26-6)16-12-8-10-14-18(16)22-2/h7-14H,1-6H3
InChIKeyCUMRIXODEHCYMK-UHFFFAOYSA-N
XLogP3.94
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
CID 21464766
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390

Frequently Asked Questions

What is the IUPAC name of 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene?
The IUPAC name of 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene (CID 70144113) is 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene?
The canonical SMILES for 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene is COc1ccccc1C(OC)(OC)SC(OC)(OC)c1ccccc1OC.
What is the InChIKey of 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene?
The InChIKey is CUMRIXODEHCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6S/c1-21-17-13-9-7-11-15(17)19(23-3,24-4)27-20(25-5,26-6)16-12-8-10-14-18(16)22-2/h7-14H,1-6H3.
What are the key properties of 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene?
1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene has a molecular weight of 394.49 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene is sourced from PubChem (CID 70144113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).