1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol

C15H18OS — CID 15507026

IUPAC1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol
SMILESC#CCCCC(O)C1(Sc2ccccc2)CC1
InChIInChI=1S/C15H18OS/c1-2-3-5-10-14(16)15(11-12-15)17-13-8-6-4-7-9-13/h1,4,6-9,14,16H,3,5,10-12H2
InChIKeyUFBNNEQHJABGIE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.48
Rot. Bonds6

About 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol

1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol (PubChem CID 15507026) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol
PubChem CID15507026
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol
SMILESC#CCCCC(O)C1(Sc2ccccc2)CC1
InChIInChI=1S/C15H18OS/c1-2-3-5-10-14(16)15(11-12-15)17-13-8-6-4-7-9-13/h1,4,6-9,14,16H,3,5,10-12H2
InChIKeyUFBNNEQHJABGIE-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol?
The IUPAC name of 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol (CID 15507026) is 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol?
The canonical SMILES for 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol is C#CCCCC(O)C1(Sc2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol?
The InChIKey is UFBNNEQHJABGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-2-3-5-10-14(16)15(11-12-15)17-13-8-6-4-7-9-13/h1,4,6-9,14,16H,3,5,10-12H2.
What are the key properties of 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol?
1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol has a molecular weight of 246.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylcyclopropyl)hex-5-yn-1-ol is sourced from PubChem (CID 15507026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).