(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride

C9H11ClO4S — CID 117380103

IUPAC(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
SMILESCOc1cc(O)cc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S/c1-6-3-7(11)4-9(14-2)8(6)5-15(10,12)13/h3-4,11H,5H2,1-2H3
InChIKeyOIEXTBPEEPKAGQ-UHFFFAOYSA-N
MW250.70 g/mol
LogP1.78
Rot. Bonds3

About (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride

(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride (PubChem CID 117380103) has the molecular formula C9H11ClO4S and a molecular weight of 250.70 g/mol. Its IUPAC name is (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
PubChem CID117380103
Molecular FormulaC9H11ClO4S
Molecular Weight250.70 g/mol
Exact Mass250.01
IUPAC Name(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
SMILESCOc1cc(O)cc(C)c1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S/c1-6-3-7(11)4-9(14-2)8(6)5-15(10,12)13/h3-4,11H,5H2,1-2H3
InChIKeyOIEXTBPEEPKAGQ-UHFFFAOYSA-N
XLogP1.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
CID 84808458
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride (CID 117380103) is (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride is COc1cc(O)cc(C)c1CS(=O)(=O)Cl.
What is the InChIKey of (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride?
The InChIKey is OIEXTBPEEPKAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S/c1-6-3-7(11)4-9(14-2)8(6)5-15(10,12)13/h3-4,11H,5H2,1-2H3.
What are the key properties of (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride?
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride has a molecular weight of 250.70 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117380103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).