(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol

C15H18O — CID 10488834

IUPAC(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol
SMILESO[C@H](C#Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-10H2/t15-/m1/s1
InChIKeyJLHUBNFRCIAJCA-OAHLLOKOSA-N
MW214.31 g/mol
LogP2.98
Rot. Bonds1

About (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol

(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol (PubChem CID 10488834) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol
PubChem CID10488834
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol
SMILESO[C@H](C#Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-10H2/t15-/m1/s1
InChIKeyJLHUBNFRCIAJCA-OAHLLOKOSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol?
The IUPAC name of (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol (CID 10488834) is (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol is O[C@H](C#Cc1ccccc1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol?
The InChIKey is JLHUBNFRCIAJCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-10H2/t15-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol?
(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol has a molecular weight of 214.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol is sourced from PubChem (CID 10488834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).