2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane

C15H22O4S — CID 91651416

IUPAC2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane
SMILESCOc1cc(C)c(S(=O)CCC2CCCO2)cc1OC
InChIInChI=1S/C15H22O4S/c1-11-9-13(17-2)14(18-3)10-15(11)20(16)8-6-12-5-4-7-19-12/h9-10,12H,4-8H2,1-3H3
InChIKeyZDZYLRADSYZXKK-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.69
Rot. Bonds6

About 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane

2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane (PubChem CID 91651416) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane.

Molecular Properties

Compound Name2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane
PubChem CID91651416
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane
SMILESCOc1cc(C)c(S(=O)CCC2CCCO2)cc1OC
InChIInChI=1S/C15H22O4S/c1-11-9-13(17-2)14(18-3)10-15(11)20(16)8-6-12-5-4-7-19-12/h9-10,12H,4-8H2,1-3H3
InChIKeyZDZYLRADSYZXKK-UHFFFAOYSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-[(S)-(4,5-dimethoxy-2-methylphenyl)sulfinyl]ethyl]oxolane
CID 99858416
3-methyl-4-[3-(oxolan-2-yl)propylsulfinyl]aniline
CID 81191890
2-[2-(oxolan-2-yl)ethylsulfinyl]-5-(trifluoromethyl)aniline
CID 81176304
(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane
CID 124627526
4-[2-(oxolan-2-yl)ethylsulfinyl]aniline
CID 65166256
2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane
CID 66472570
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 65155375
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
2-[2-(2,5-dimethylphenyl)sulfinylethyl]-1,3-dioxane
CID 66472569
2-[3-(2-bromo-4,5-dimethoxyphenyl)-3-chloropropyl]oxolane
CID 65158101
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane?
The IUPAC name of 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane (CID 91651416) is 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane.
What is the SMILES notation for 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane?
The canonical SMILES for 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane is COc1cc(C)c(S(=O)CCC2CCCO2)cc1OC.
What is the InChIKey of 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane?
The InChIKey is ZDZYLRADSYZXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4S/c1-11-9-13(17-2)14(18-3)10-15(11)20(16)8-6-12-5-4-7-19-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane?
2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane has a molecular weight of 298.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane is sourced from PubChem (CID 91651416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).