[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol

C14H13ClO4S — CID 43807134

IUPAC[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
SMILESCS(=O)(=O)c1ccc(Oc2cccc(Cl)c2CO)cc1
InChIInChI=1S/C14H13ClO4S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8,16H,9H2,1H3
InChIKeyILOBDEWDXXVPAI-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.03
Rot. Bonds4

About [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol

[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol (PubChem CID 43807134) has the molecular formula C14H13ClO4S and a molecular weight of 312.77 g/mol. Its IUPAC name is [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
PubChem CID43807134
Molecular FormulaC14H13ClO4S
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
SMILESCS(=O)(=O)c1ccc(Oc2cccc(Cl)c2CO)cc1
InChIInChI=1S/C14H13ClO4S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8,16H,9H2,1H3
InChIKeyILOBDEWDXXVPAI-UHFFFAOYSA-N
XLogP3.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-(chloromethyl)-3-(4-methylsulfonylphenoxy)benzene
CID 43807153
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826
2-[4-[3-chloro-2-(hydroxymethyl)phenoxy]phenyl]acetonitrile
CID 28946031
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
CID 43345619
4-chloro-2-(chloromethyl)-1-(4-methylsulfonylphenoxy)benzene
CID 114847043
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 63086683
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol (CID 43807134) is [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol is CS(=O)(=O)c1ccc(Oc2cccc(Cl)c2CO)cc1.
What is the InChIKey of [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol?
The InChIKey is ILOBDEWDXXVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO4S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol?
[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol has a molecular weight of 312.77 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol is sourced from PubChem (CID 43807134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).