[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride

C10H12Cl2O4S — CID 117481621

IUPAC[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
SMILESCOCc1cc(OC)c(Cl)cc1CS(=O)(=O)Cl
InChIInChI=1S/C10H12Cl2O4S/c1-15-5-7-4-10(16-2)9(11)3-8(7)6-17(12,13)14/h3-4H,5-6H2,1-2H3
InChIKeyUNCZPFFDNJEBKE-UHFFFAOYSA-N
MW299.18 g/mol
LogP2.56
Rot. Bonds5

About [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride

[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride (PubChem CID 117481621) has the molecular formula C10H12Cl2O4S and a molecular weight of 299.18 g/mol. Its IUPAC name is [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
PubChem CID117481621
Molecular FormulaC10H12Cl2O4S
Molecular Weight299.18 g/mol
Exact Mass297.98
IUPAC Name[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
SMILESCOCc1cc(OC)c(Cl)cc1CS(=O)(=O)Cl
InChIInChI=1S/C10H12Cl2O4S/c1-15-5-7-4-10(16-2)9(11)3-8(7)6-17(12,13)14/h3-4H,5-6H2,1-2H3
InChIKeyUNCZPFFDNJEBKE-UHFFFAOYSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
1-chloro-5-(isocyanatomethyl)-2-methoxy-4-(methoxymethyl)benzene
CID 117356102
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117475353
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
CID 117484340
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride (CID 117481621) is [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride is COCc1cc(OC)c(Cl)cc1CS(=O)(=O)Cl.
What is the InChIKey of [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride?
The InChIKey is UNCZPFFDNJEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O4S/c1-15-5-7-4-10(16-2)9(11)3-8(7)6-17(12,13)14/h3-4H,5-6H2,1-2H3.
What are the key properties of [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride?
[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride has a molecular weight of 299.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117481621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).