[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride

C11H15ClO5S — CID 117475353

IUPAC[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
SMILESCOCc1cc(OC)cc(CS(=O)(=O)Cl)c1OC
InChIInChI=1S/C11H15ClO5S/c1-15-6-8-4-10(16-2)5-9(11(8)17-3)7-18(12,13)14/h4-5H,6-7H2,1-3H3
InChIKeyYVOWSBWRLDJDGN-UHFFFAOYSA-N
MW294.76 g/mol
LogP1.92
Rot. Bonds6

About [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride

[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride (PubChem CID 117475353) has the molecular formula C11H15ClO5S and a molecular weight of 294.76 g/mol. Its IUPAC name is [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
PubChem CID117475353
Molecular FormulaC11H15ClO5S
Molecular Weight294.76 g/mol
Exact Mass294.03
IUPAC Name[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
SMILESCOCc1cc(OC)cc(CS(=O)(=O)Cl)c1OC
InChIInChI=1S/C11H15ClO5S/c1-15-6-8-4-10(16-2)5-9(11(8)17-3)7-18(12,13)14/h4-5H,6-7H2,1-3H3
InChIKeyYVOWSBWRLDJDGN-UHFFFAOYSA-N
XLogP1.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117481621
4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
CID 117424486
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
5-methoxy-3-(methoxymethyl)phthalaldehyde
CID 86118704
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
1,2,3-trimethoxy-5-(methoxymethyl)-4-(methylsulfonylmethyl)benzene
CID 14261269
(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
CID 84710902

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride (CID 117475353) is [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride is COCc1cc(OC)cc(CS(=O)(=O)Cl)c1OC.
What is the InChIKey of [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride?
The InChIKey is YVOWSBWRLDJDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO5S/c1-15-6-8-4-10(16-2)5-9(11(8)17-3)7-18(12,13)14/h4-5H,6-7H2,1-3H3.
What are the key properties of [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride?
[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride has a molecular weight of 294.76 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117475353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).