methyl (2,4-dichlorophenyl)-methoxymethanesulfinate

C9H10Cl2O3S — CID 10858513

IUPACmethyl (2,4-dichlorophenyl)-methoxymethanesulfinate
SMILESCOC(c1ccc(Cl)cc1Cl)S(=O)OC
InChIInChI=1S/C9H10Cl2O3S/c1-13-9(15(12)14-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
InChIKeyLCCWEPGSIRRWHT-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.95
Rot. Bonds4

About methyl (2,4-dichlorophenyl)-methoxymethanesulfinate

methyl (2,4-dichlorophenyl)-methoxymethanesulfinate (PubChem CID 10858513) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is methyl (2,4-dichlorophenyl)-methoxymethanesulfinate.

Molecular Properties

Compound Namemethyl (2,4-dichlorophenyl)-methoxymethanesulfinate
PubChem CID10858513
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Namemethyl (2,4-dichlorophenyl)-methoxymethanesulfinate
SMILESCOC(c1ccc(Cl)cc1Cl)S(=O)OC
InChIInChI=1S/C9H10Cl2O3S/c1-13-9(15(12)14-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
InChIKeyLCCWEPGSIRRWHT-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
CID 163640824
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630

Frequently Asked Questions

What is the IUPAC name of methyl (2,4-dichlorophenyl)-methoxymethanesulfinate?
The IUPAC name of methyl (2,4-dichlorophenyl)-methoxymethanesulfinate (CID 10858513) is methyl (2,4-dichlorophenyl)-methoxymethanesulfinate.
What is the SMILES notation for methyl (2,4-dichlorophenyl)-methoxymethanesulfinate?
The canonical SMILES for methyl (2,4-dichlorophenyl)-methoxymethanesulfinate is COC(c1ccc(Cl)cc1Cl)S(=O)OC.
What is the InChIKey of methyl (2,4-dichlorophenyl)-methoxymethanesulfinate?
The InChIKey is LCCWEPGSIRRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-13-9(15(12)14-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3.
What are the key properties of methyl (2,4-dichlorophenyl)-methoxymethanesulfinate?
methyl (2,4-dichlorophenyl)-methoxymethanesulfinate has a molecular weight of 269.15 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2,4-dichlorophenyl)-methoxymethanesulfinate is sourced from PubChem (CID 10858513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).