(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride

C12H17ClO4S — CID 117472732

IUPAC(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)c(C(C)C)cc1OC
InChIInChI=1S/C12H17ClO4S/c1-8(2)10-6-12(17-4)11(16-3)5-9(10)7-18(13,14)15/h5-6,8H,7H2,1-4H3
InChIKeyASIMXTNTJXJGRT-UHFFFAOYSA-N
MW292.78 g/mol
LogP2.90
Rot. Bonds5

About (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride

(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride (PubChem CID 117472732) has the molecular formula C12H17ClO4S and a molecular weight of 292.78 g/mol. Its IUPAC name is (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
PubChem CID117472732
Molecular FormulaC12H17ClO4S
Molecular Weight292.78 g/mol
Exact Mass292.05
IUPAC Name(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)c(C(C)C)cc1OC
InChIInChI=1S/C12H17ClO4S/c1-8(2)10-6-12(17-4)11(16-3)5-9(10)7-18(13,14)15/h5-6,8H,7H2,1-4H3
InChIKeyASIMXTNTJXJGRT-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
CID 117484340
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
CID 84710902
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane
CID 145466596
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117481621
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride?
The IUPAC name of (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride (CID 117472732) is (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride is COc1cc(CS(=O)(=O)Cl)c(C(C)C)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride?
The InChIKey is ASIMXTNTJXJGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO4S/c1-8(2)10-6-12(17-4)11(16-3)5-9(10)7-18(13,14)15/h5-6,8H,7H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride?
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride has a molecular weight of 292.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117472732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).