(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride

C9H10Cl2O4S — CID 117458959

IUPAC(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1cc(C)c(Cl)c(CS(=O)(=O)Cl)c1O
InChIInChI=1S/C9H10Cl2O4S/c1-5-3-7(15-2)9(12)6(8(5)10)4-16(11,13)14/h3,12H,4H2,1-2H3
InChIKeyIPFDHWJNSQXBOJ-UHFFFAOYSA-N
MW285.15 g/mol
LogP2.43
Rot. Bonds3

About (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride

(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 117458959) has the molecular formula C9H10Cl2O4S and a molecular weight of 285.15 g/mol. Its IUPAC name is (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID117458959
Molecular FormulaC9H10Cl2O4S
Molecular Weight285.15 g/mol
Exact Mass283.97
IUPAC Name(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1cc(C)c(Cl)c(CS(=O)(=O)Cl)c1O
InChIInChI=1S/C9H10Cl2O4S/c1-5-3-7(15-2)9(12)6(8(5)10)4-16(11,13)14/h3,12H,4H2,1-2H3
InChIKeyIPFDHWJNSQXBOJ-UHFFFAOYSA-N
XLogP2.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 52.43
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
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride (CID 117458959) is (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride is COc1cc(C)c(Cl)c(CS(=O)(=O)Cl)c1O.
What is the InChIKey of (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is IPFDHWJNSQXBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O4S/c1-5-3-7(15-2)9(12)6(8(5)10)4-16(11,13)14/h3,12H,4H2,1-2H3.
What are the key properties of (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride?
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 285.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117458959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).