2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol

C9H10Cl2O3S — CID 82181727

IUPAC2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O3S/c10-8-2-1-7(9(11)5-8)6-15(13,14)4-3-12/h1-2,5,12H,3-4,6H2
InChIKeyXZRVOYBIHYTGNQ-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol

2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol (PubChem CID 82181727) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
PubChem CID82181727
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O3S/c10-8-2-1-7(9(11)5-8)6-15(13,14)4-3-12/h1-2,5,12H,3-4,6H2
InChIKeyXZRVOYBIHYTGNQ-UHFFFAOYSA-N
XLogP1.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2,4-dichlorophenyl)methylsulfonyl]propane-1,2-diol
CID 95973022
3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 111472477
3-[(2-chloro-4-methoxyphenyl)methylsulfonyl]propan-1-ol
CID 111969329
1-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenylpropan-2-ol
CID 4616103
2,4-dichloro-1-(3-methylpent-2-en-2-ylsulfonylmethyl)benzene
CID 123509149
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
1-(2,4-dichlorophenyl)-N-(2-fluoroethyl)methanesulfonamide
CID 59623734
2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
CID 60563014
5-[(4-chloro-2-fluorophenyl)methylsulfonyl]pentanoic acid
CID 117098093
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine
CID 102670591
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol (CID 82181727) is 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol is O=S(=O)(CCO)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol?
The InChIKey is XZRVOYBIHYTGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c10-8-2-1-7(9(11)5-8)6-15(13,14)4-3-12/h1-2,5,12H,3-4,6H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol?
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol has a molecular weight of 269.15 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol is sourced from PubChem (CID 82181727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).