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

C13H20O2S — CID 103867882

IUPAC6-(4-methylsulfanylphenoxy)hexan-1-ol
SMILESCSc1ccc(OCCCCCCO)cc1
InChIInChI=1S/C13H20O2S/c1-16-13-8-6-12(7-9-13)15-11-5-3-2-4-10-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyUSIWBEBKFWBHBS-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.34
Rot. Bonds8

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

6-(4-methylsulfanylphenoxy)hexan-1-ol (PubChem CID 103867882) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 6-(4-methylsulfanylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-methylsulfanylphenoxy)hexan-1-ol
PubChem CID103867882
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name6-(4-methylsulfanylphenoxy)hexan-1-ol
SMILESCSc1ccc(OCCCCCCO)cc1
InChIInChI=1S/C13H20O2S/c1-16-13-8-6-12(7-9-13)15-11-5-3-2-4-10-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyUSIWBEBKFWBHBS-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
5-(4-methylsulfanylphenoxy)pentan-2-one
CID 63648202
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfanylphenoxy)hexan-1-ol?
The IUPAC name of 6-(4-methylsulfanylphenoxy)hexan-1-ol (CID 103867882) is 6-(4-methylsulfanylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-methylsulfanylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-methylsulfanylphenoxy)hexan-1-ol is CSc1ccc(OCCCCCCO)cc1.
What is the InChIKey of 6-(4-methylsulfanylphenoxy)hexan-1-ol?
The InChIKey is USIWBEBKFWBHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-16-13-8-6-12(7-9-13)15-11-5-3-2-4-10-14/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 6-(4-methylsulfanylphenoxy)hexan-1-ol?
6-(4-methylsulfanylphenoxy)hexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfanylphenoxy)hexan-1-ol is sourced from PubChem (CID 103867882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).