1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol

C17H26OS — CID 134881779

IUPAC1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol
SMILESCCSCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26OS/c1-2-19-14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3
InChIKeyJNSOMPMCPZSHBP-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.60
Rot. Bonds6

About 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol

1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol (PubChem CID 134881779) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol
PubChem CID134881779
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol
SMILESCCSCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26OS/c1-2-19-14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3
InChIKeyJNSOMPMCPZSHBP-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.60
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 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol?
The IUPAC name of 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol (CID 134881779) is 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol.
What is the SMILES notation for 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol?
The canonical SMILES for 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol is CCSCCC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol?
The InChIKey is JNSOMPMCPZSHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS/c1-2-19-14-13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol?
1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol has a molecular weight of 278.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylsulfanyl-1-phenylpropan-1-ol is sourced from PubChem (CID 134881779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).