6-(2-chlorophenyl)sulfanylhexan-1-ol

C12H17ClOS — CID 103736267

IUPAC6-(2-chlorophenyl)sulfanylhexan-1-ol
SMILESOCCCCCCSc1ccccc1Cl
InChIInChI=1S/C12H17ClOS/c13-11-7-3-4-8-12(11)15-10-6-2-1-5-9-14/h3-4,7-8,14H,1-2,5-6,9-10H2
InChIKeyXWVCDYDGMYWCII-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.98
Rot. Bonds7

About 6-(2-chlorophenyl)sulfanylhexan-1-ol

6-(2-chlorophenyl)sulfanylhexan-1-ol (PubChem CID 103736267) has the molecular formula C12H17ClOS and a molecular weight of 244.79 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanylhexan-1-ol
PubChem CID103736267
Molecular FormulaC12H17ClOS
Molecular Weight244.79 g/mol
Exact Mass244.07
IUPAC Name6-(2-chlorophenyl)sulfanylhexan-1-ol
SMILESOCCCCCCSc1ccccc1Cl
InChIInChI=1S/C12H17ClOS/c13-11-7-3-4-8-12(11)15-10-6-2-1-5-9-14/h3-4,7-8,14H,1-2,5-6,9-10H2
InChIKeyXWVCDYDGMYWCII-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanylhexan-1-ol?
The IUPAC name of 6-(2-chlorophenyl)sulfanylhexan-1-ol (CID 103736267) is 6-(2-chlorophenyl)sulfanylhexan-1-ol.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanylhexan-1-ol?
The canonical SMILES for 6-(2-chlorophenyl)sulfanylhexan-1-ol is OCCCCCCSc1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)sulfanylhexan-1-ol?
The InChIKey is XWVCDYDGMYWCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClOS/c13-11-7-3-4-8-12(11)15-10-6-2-1-5-9-14/h3-4,7-8,14H,1-2,5-6,9-10H2.
What are the key properties of 6-(2-chlorophenyl)sulfanylhexan-1-ol?
6-(2-chlorophenyl)sulfanylhexan-1-ol has a molecular weight of 244.79 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanylhexan-1-ol is sourced from PubChem (CID 103736267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).