[5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol

C10H13ClO4S — CID 60915682

IUPAC[5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol
SMILESCS(=O)(=O)CCOc1ccc(Cl)cc1CO
InChIInChI=1S/C10H13ClO4S/c1-16(13,14)5-4-15-10-3-2-9(11)6-8(10)7-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyMAFJFENVBYDYQP-UHFFFAOYSA-N
MW264.73 g/mol
LogP1.26
Rot. Bonds5

About [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol

[5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol (PubChem CID 60915682) has the molecular formula C10H13ClO4S and a molecular weight of 264.73 g/mol. Its IUPAC name is [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol
PubChem CID60915682
Molecular FormulaC10H13ClO4S
Molecular Weight264.73 g/mol
Exact Mass264.02
IUPAC Name[5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol
SMILESCS(=O)(=O)CCOc1ccc(Cl)cc1CO
InChIInChI=1S/C10H13ClO4S/c1-16(13,14)5-4-15-10-3-2-9(11)6-8(10)7-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyMAFJFENVBYDYQP-UHFFFAOYSA-N
XLogP1.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

MCPA-thioethyl
CID 32876
3-(4-Chloro-2-methylphenoxy)propane-1,2-diol
CID 20332706
(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 47003152
1-(5-Chloro-2-methoxyphenyl)ethanol
CID 58046356
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol
CID 224195
(5-Chloro-2-methoxyphenyl)methanol
CID 4357585
6-Chloro-2H-1-benzopyran-3-sulfonyl chloride
CID 47003560
2-(2,2,2-Trifluoroethoxy)-5-chlorobenzyl alcohol
CID 43141932
2-(4-Chloro-2-methylphenoxy)ethyl hydrogen sulfate
CID 44154939
1-[5-Chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 62073561
(3R)-4-(4-chloro-2-cyanophenoxy)-3-fluorobutane-1-sulfonic acid
CID 86628727

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol (CID 60915682) is [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol is CS(=O)(=O)CCOc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol?
The InChIKey is MAFJFENVBYDYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4S/c1-16(13,14)5-4-15-10-3-2-9(11)6-8(10)7-12/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol?
[5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol has a molecular weight of 264.73 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methylsulfonylethoxy)phenyl]methanol is sourced from PubChem (CID 60915682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).