(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride

C8H9ClO4S — CID 117345788

IUPAC(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(O)ccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S/c1-13-8-4-7(10)3-2-6(8)5-14(9,11)12/h2-4,10H,5H2,1H3
InChIKeyVIEJBASIXMWTFZ-UHFFFAOYSA-N
MW236.68 g/mol
LogP1.47
Rot. Bonds3

About (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride

(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117345788) has the molecular formula C8H9ClO4S and a molecular weight of 236.68 g/mol. Its IUPAC name is (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID117345788
Molecular FormulaC8H9ClO4S
Molecular Weight236.68 g/mol
Exact Mass235.99
IUPAC Name(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(O)ccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S/c1-13-8-4-7(10)3-2-6(8)5-14(9,11)12/h2-4,10H,5H2,1H3
InChIKeyVIEJBASIXMWTFZ-UHFFFAOYSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
3-methoxy-4-(propan-2-ylsulfonylmethyl)phenol
CID 117219444
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117408990
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135
[2-(difluoromethyl)-4,5-dimethoxyphenyl]methanesulfonyl chloride
CID 117484340

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride (CID 117345788) is (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride is COc1cc(O)ccc1CS(=O)(=O)Cl.
What is the InChIKey of (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is VIEJBASIXMWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4S/c1-13-8-4-7(10)3-2-6(8)5-14(9,11)12/h2-4,10H,5H2,1H3.
What are the key properties of (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 236.68 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117345788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).