6-(3-methylsulfonylphenoxy)hexan-1-ol

C13H20O4S — CID 107705404

IUPAC6-(3-methylsulfonylphenoxy)hexan-1-ol
SMILESCS(=O)(=O)c1cccc(OCCCCCCO)c1
InChIInChI=1S/C13H20O4S/c1-18(15,16)13-8-6-7-12(11-13)17-10-5-3-2-4-9-14/h6-8,11,14H,2-5,9-10H2,1H3
InChIKeyONNRNUSQYFEOIT-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.02
Rot. Bonds8

About 6-(3-methylsulfonylphenoxy)hexan-1-ol

6-(3-methylsulfonylphenoxy)hexan-1-ol (PubChem CID 107705404) has the molecular formula C13H20O4S and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(3-methylsulfonylphenoxy)hexan-1-ol
PubChem CID107705404
Molecular FormulaC13H20O4S
Molecular Weight272.37 g/mol
Exact Mass272.11
IUPAC Name6-(3-methylsulfonylphenoxy)hexan-1-ol
SMILESCS(=O)(=O)c1cccc(OCCCCCCO)c1
InChIInChI=1S/C13H20O4S/c1-18(15,16)13-8-6-7-12(11-13)17-10-5-3-2-4-9-14/h6-8,11,14H,2-5,9-10H2,1H3
InChIKeyONNRNUSQYFEOIT-UHFFFAOYSA-N
XLogP2.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.02
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

4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
6-(4-methylsulfonylphenoxy)hexan-1-ol
CID 107705402
5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
CID 62486291
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-1-amine
CID 62583062
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenoxy)hexan-1-ol?
The IUPAC name of 6-(3-methylsulfonylphenoxy)hexan-1-ol (CID 107705404) is 6-(3-methylsulfonylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(3-methylsulfonylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(3-methylsulfonylphenoxy)hexan-1-ol is CS(=O)(=O)c1cccc(OCCCCCCO)c1.
What is the InChIKey of 6-(3-methylsulfonylphenoxy)hexan-1-ol?
The InChIKey is ONNRNUSQYFEOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4S/c1-18(15,16)13-8-6-7-12(11-13)17-10-5-3-2-4-9-14/h6-8,11,14H,2-5,9-10H2,1H3.
What are the key properties of 6-(3-methylsulfonylphenoxy)hexan-1-ol?
6-(3-methylsulfonylphenoxy)hexan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenoxy)hexan-1-ol is sourced from PubChem (CID 107705404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).