2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride

C9H10ClFO4S — CID 84808458

IUPAC2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1cc(O)cc(F)c1CCS(=O)(=O)Cl
InChIInChI=1S/C9H10ClFO4S/c1-15-9-5-6(12)4-8(11)7(9)2-3-16(10,13)14/h4-5,12H,2-3H2,1H3
InChIKeyXDOPCSHTCHUTCF-UHFFFAOYSA-N
MW268.69 g/mol
LogP1.65
Rot. Bonds4

About 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride

2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride (PubChem CID 84808458) has the molecular formula C9H10ClFO4S and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
PubChem CID84808458
Molecular FormulaC9H10ClFO4S
Molecular Weight268.69 g/mol
Exact Mass268.00
IUPAC Name2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1cc(O)cc(F)c1CCS(=O)(=O)Cl
InChIInChI=1S/C9H10ClFO4S/c1-15-9-5-6(12)4-8(11)7(9)2-3-16(10,13)14/h4-5,12H,2-3H2,1H3
InChIKeyXDOPCSHTCHUTCF-UHFFFAOYSA-N
XLogP1.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride (CID 84808458) is 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride is COc1cc(O)cc(F)c1CCS(=O)(=O)Cl.
What is the InChIKey of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride?
The InChIKey is XDOPCSHTCHUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO4S/c1-15-9-5-6(12)4-8(11)7(9)2-3-16(10,13)14/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride?
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride has a molecular weight of 268.69 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84808458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).