(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride

C10H13ClO4S — CID 117416233

IUPAC(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
SMILESCCc1cc(CS(=O)(=O)Cl)c(O)c(OC)c1
InChIInChI=1S/C10H13ClO4S/c1-3-7-4-8(6-16(11,13)14)10(12)9(5-7)15-2/h4-5,12H,3,6H2,1-2H3
InChIKeyKJWHCLSRKPCBHY-UHFFFAOYSA-N
MW264.73 g/mol
LogP2.03
Rot. Bonds4

About (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride

(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117416233) has the molecular formula C10H13ClO4S and a molecular weight of 264.73 g/mol. Its IUPAC name is (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
PubChem CID117416233
Molecular FormulaC10H13ClO4S
Molecular Weight264.73 g/mol
Exact Mass264.02
IUPAC Name(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
SMILESCCc1cc(CS(=O)(=O)Cl)c(O)c(OC)c1
InChIInChI=1S/C10H13ClO4S/c1-3-7-4-8(6-16(11,13)14)10(12)9(5-7)15-2/h4-5,12H,3,6H2,1-2H3
InChIKeyKJWHCLSRKPCBHY-UHFFFAOYSA-N
XLogP2.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84676009
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117408990
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride (CID 117416233) is (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride is CCc1cc(CS(=O)(=O)Cl)c(O)c(OC)c1.
What is the InChIKey of (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is KJWHCLSRKPCBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4S/c1-3-7-4-8(6-16(11,13)14)10(12)9(5-7)15-2/h4-5,12H,3,6H2,1-2H3.
What are the key properties of (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride?
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117416233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).