6-(4-methoxyphenyl)hexane-1-thiol

C13H20OS — CID 10799192

IUPAC6-(4-methoxyphenyl)hexane-1-thiol
SMILESCOc1ccc(CCCCCCS)cc1
InChIInChI=1S/C13H20OS/c1-14-13-9-7-12(8-10-13)6-4-2-3-5-11-15/h7-10,15H,2-6,11H2,1H3
InChIKeyUQCLDWSDEKLJTD-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.73
Rot. Bonds7

About 6-(4-methoxyphenyl)hexane-1-thiol

6-(4-methoxyphenyl)hexane-1-thiol (PubChem CID 10799192) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)hexane-1-thiol.

Molecular Properties

Compound Name6-(4-methoxyphenyl)hexane-1-thiol
PubChem CID10799192
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name6-(4-methoxyphenyl)hexane-1-thiol
SMILESCOc1ccc(CCCCCCS)cc1
InChIInChI=1S/C13H20OS/c1-14-13-9-7-12(8-10-13)6-4-2-3-5-11-15/h7-10,15H,2-6,11H2,1H3
InChIKeyUQCLDWSDEKLJTD-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-(5-sulfanylpentyl)phenyl]pentane-1-thiol
CID 91071669
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
4-(4-ethoxyphenyl)butane-1-thiol
CID 94681692
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
8-[4-(sulfanylmethyl)phenyl]octane-1-thiol
CID 86216591
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)hexane-1-thiol?
The IUPAC name of 6-(4-methoxyphenyl)hexane-1-thiol (CID 10799192) is 6-(4-methoxyphenyl)hexane-1-thiol.
What is the SMILES notation for 6-(4-methoxyphenyl)hexane-1-thiol?
The canonical SMILES for 6-(4-methoxyphenyl)hexane-1-thiol is COc1ccc(CCCCCCS)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)hexane-1-thiol?
The InChIKey is UQCLDWSDEKLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-14-13-9-7-12(8-10-13)6-4-2-3-5-11-15/h7-10,15H,2-6,11H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)hexane-1-thiol?
6-(4-methoxyphenyl)hexane-1-thiol has a molecular weight of 224.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)hexane-1-thiol is sourced from PubChem (CID 10799192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).