2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol

C11H15ClO4S — CID 110913020

IUPAC2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol
SMILESO=S(=O)(CCOCCO)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClO4S/c12-11-4-2-1-3-10(11)9-17(14,15)8-7-16-6-5-13/h1-4,13H,5-9H2
InChIKeyIONAUTQYBCHCRB-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.26
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol

2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol (PubChem CID 110913020) has the molecular formula C11H15ClO4S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol
PubChem CID110913020
Molecular FormulaC11H15ClO4S
Molecular Weight278.76 g/mol
Exact Mass278.04
IUPAC Name2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol
SMILESO=S(=O)(CCOCCO)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClO4S/c12-11-4-2-1-3-10(11)9-17(14,15)8-7-16-6-5-13/h1-4,13H,5-9H2
InChIKeyIONAUTQYBCHCRB-UHFFFAOYSA-N
XLogP1.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
CID 60563014
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
2-chloro-1-methoxy-3-[2-(2-methoxyethoxy)ethylsulfonylmethyl]benzene
CID 167831770
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
CID 103288038
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
CID 40562244
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 111472477

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol (CID 110913020) is 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol is O=S(=O)(CCOCCO)Cc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol?
The InChIKey is IONAUTQYBCHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S/c12-11-4-2-1-3-10(11)9-17(14,15)8-7-16-6-5-13/h1-4,13H,5-9H2.
What are the key properties of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol?
2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol has a molecular weight of 278.76 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylsulfonyl]ethoxy]ethanol is sourced from PubChem (CID 110913020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).