6-(4-methylsulfonylphenoxy)hexan-1-ol

C13H20O4S — CID 107705402

IUPAC6-(4-methylsulfonylphenoxy)hexan-1-ol
SMILESCS(=O)(=O)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C13H20O4S/c1-18(15,16)13-8-6-12(7-9-13)17-11-5-3-2-4-10-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyPNUGPZSIPUHYGL-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.02
Rot. Bonds8

About 6-(4-methylsulfonylphenoxy)hexan-1-ol

6-(4-methylsulfonylphenoxy)hexan-1-ol (PubChem CID 107705402) has the molecular formula C13H20O4S and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-methylsulfonylphenoxy)hexan-1-ol
PubChem CID107705402
Molecular FormulaC13H20O4S
Molecular Weight272.37 g/mol
Exact Mass272.11
IUPAC Name6-(4-methylsulfonylphenoxy)hexan-1-ol
SMILESCS(=O)(=O)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C13H20O4S/c1-18(15,16)13-8-6-12(7-9-13)17-11-5-3-2-4-10-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyPNUGPZSIPUHYGL-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'}

Analyze 6-(4-methylsulfonylphenoxy)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
4-(11-hydroxyundecoxy)benzenesulfonic acid
CID 71377901
sodium;hydride;4-(6-hydroxyhexoxy)benzenesulfonic acid
CID 173139636
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
6-(4-methylsulfonylphenoxy)hexan-3-one
CID 106801965
2-amino-2-methyl-5-(4-methylsulfonylphenoxy)pentan-1-ol
CID 64807315
6-[4-[(E)-2-(4-methylsulfonylphenyl)ethenyl]phenoxy]hexyl acetate
CID 59445237
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenoxy)hexan-1-ol?
The IUPAC name of 6-(4-methylsulfonylphenoxy)hexan-1-ol (CID 107705402) is 6-(4-methylsulfonylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-methylsulfonylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-methylsulfonylphenoxy)hexan-1-ol is CS(=O)(=O)c1ccc(OCCCCCCO)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenoxy)hexan-1-ol?
The InChIKey is PNUGPZSIPUHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4S/c1-18(15,16)13-8-6-12(7-9-13)17-11-5-3-2-4-10-14/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 6-(4-methylsulfonylphenoxy)hexan-1-ol?
6-(4-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-(4-methylsulfonylphenoxy)hexan-1-ol is sourced from PubChem (CID 107705402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).