5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene

C19H24O6S — CID 10595940

IUPAC5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(CS(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H24O6S/c1-21-15-7-6-13(8-16(15)22-2)11-26(20)12-14-9-17(23-3)19(25-5)18(10-14)24-4/h6-10H,11-12H2,1-5H3
InChIKeyROBIASQWPJKGBL-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.18
Rot. Bonds9

About 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene

5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene (PubChem CID 10595940) has the molecular formula C19H24O6S and a molecular weight of 380.46 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene
PubChem CID10595940
Molecular FormulaC19H24O6S
Molecular Weight380.46 g/mol
Exact Mass380.13
IUPAC Name5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(CS(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H24O6S/c1-21-15-7-6-13(8-16(15)22-2)11-26(20)12-14-9-17(23-3)19(25-5)18(10-14)24-4/h6-10H,11-12H2,1-5H3
InChIKeyROBIASQWPJKGBL-UHFFFAOYSA-N
XLogP3.18
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole
CID 10711770
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] hydrogen sulfate
CID 24820748
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
(3,4-dimethoxyphenyl)-dimethyl-(3,4,5-trimethoxyphenyl)silane
CID 72697489
2-chloro-1-methoxy-4-(methylsulfinylmethyl)benzene
CID 130611614
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
(3S,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 10993417

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene (CID 10595940) is 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene is COc1ccc(CS(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene?
The InChIKey is ROBIASQWPJKGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6S/c1-21-15-7-6-13(8-16(15)22-2)11-26(20)12-14-9-17(23-3)19(25-5)18(10-14)24-4/h6-10H,11-12H2,1-5H3.
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene?
5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene has a molecular weight of 380.46 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 10595940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).