6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol

C18H30OS — CID 71362156

IUPAC6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
SMILESOCCCCCCc1ccc(CCCCCCS)cc1
InChIInChI=1S/C18H30OS/c19-15-7-3-1-5-9-17-11-13-18(14-12-17)10-6-2-4-8-16-20/h11-14,19-20H,1-10,15-16H2
InChIKeyQZOXYIVMWOKLDL-UHFFFAOYSA-N
MW294.50 g/mol
LogP4.81
Rot. Bonds12

About 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol

6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol (PubChem CID 71362156) has the molecular formula C18H30OS and a molecular weight of 294.50 g/mol. Its IUPAC name is 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
PubChem CID71362156
Molecular FormulaC18H30OS
Molecular Weight294.50 g/mol
Exact Mass294.20
IUPAC Name6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
SMILESOCCCCCCc1ccc(CCCCCCS)cc1
InChIInChI=1S/C18H30OS/c19-15-7-3-1-5-9-17-11-13-18(14-12-17)10-6-2-4-8-16-20/h11-14,19-20H,1-10,15-16H2
InChIKeyQZOXYIVMWOKLDL-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[4-(6-sulfanylhexyl)phenyl]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

5-[4-(5-sulfanylpentyl)phenyl]pentane-1-thiol
CID 91071669
4-(8-sulfanyloctyl)phenol
CID 58675994
8-[4-(sulfanylmethyl)phenyl]octane-1-thiol
CID 86216591
4-(12-hydroxydodecyl)phenol
CID 139809285
4-(6-sulfanylhexyl)benzenethiol
CID 86209304
4-(4-sulfanylbutyl)benzenethiol
CID 129086521
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol
CID 173421421
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
4-(4-phenylphenyl)butan-1-ol
CID 11970468
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol?
The IUPAC name of 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol (CID 71362156) is 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol.
What is the SMILES notation for 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol?
The canonical SMILES for 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol is OCCCCCCc1ccc(CCCCCCS)cc1.
What is the InChIKey of 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol?
The InChIKey is QZOXYIVMWOKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OS/c19-15-7-3-1-5-9-17-11-13-18(14-12-17)10-6-2-4-8-16-20/h11-14,19-20H,1-10,15-16H2.
What are the key properties of 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol?
6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol has a molecular weight of 294.50 g/mol, XLogP of 4.81, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol is sourced from PubChem (CID 71362156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).