(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride

C11H15ClO3S — CID 84710902

IUPAC(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)cccc1C(C)C
InChIInChI=1S/C11H15ClO3S/c1-8(2)10-6-4-5-9(11(10)15-3)7-16(12,13)14/h4-6,8H,7H2,1-3H3
InChIKeyDILCLINLNQBOCD-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.89
Rot. Bonds4

About (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride

(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride (PubChem CID 84710902) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
PubChem CID84710902
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)cccc1C(C)C
InChIInChI=1S/C11H15ClO3S/c1-8(2)10-6-4-5-9(11(10)15-3)7-16(12,13)14/h4-6,8H,7H2,1-3H3
InChIKeyDILCLINLNQBOCD-UHFFFAOYSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117472731
[3-(1,1-difluoroethyl)-2-methoxyphenyl]methanesulfonyl chloride
CID 117458195
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
(2-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710322
(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481130
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
propan-2-yl (2,3-dimethoxyphenyl)methanesulfonate
CID 22901832

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride (CID 84710902) is (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride is COc1c(CS(=O)(=O)Cl)cccc1C(C)C.
What is the InChIKey of (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride?
The InChIKey is DILCLINLNQBOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-8(2)10-6-4-5-9(11(10)15-3)7-16(12,13)14/h4-6,8H,7H2,1-3H3.
What are the key properties of (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride?
(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84710902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).