1-cyclohexyl-3-phenylprop-2-yn-1-ol

C15H18O — CID 11042123

IUPAC1-cyclohexyl-3-phenylprop-2-yn-1-ol
SMILESOC(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
InChIKeyJLHUBNFRCIAJCA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.98
Rot. Bonds1

About 1-cyclohexyl-3-phenylprop-2-yn-1-ol

1-cyclohexyl-3-phenylprop-2-yn-1-ol (PubChem CID 11042123) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-phenylprop-2-yn-1-ol
PubChem CID11042123
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-cyclohexyl-3-phenylprop-2-yn-1-ol
SMILESOC(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
InChIKeyJLHUBNFRCIAJCA-UHFFFAOYSA-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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Related Compounds

(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
CID 130716301
1-cyclohexyl-4-phenylbut-3-yne-1,2-diol
CID 134942948
1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine
CID 132609452
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
N-(1-cyclohexyl-3-phenylprop-2-ynyl)-N-methylaniline
CID 46185048
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
[(1S,4R)-4-cyclohexyl-4-hydroxy-1-phenylbut-2-ynyl] acetate
CID 101414867
(R)-cycloheptyl(phenyl)methanol
CID 94502427
2-phenylethynylcyclooctane
CID 71426639
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
4-cyclohexyl-4-hydroxybut-2-ynoic acid
CID 11830059
1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55069022

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-phenylprop-2-yn-1-ol?
The IUPAC name of 1-cyclohexyl-3-phenylprop-2-yn-1-ol (CID 11042123) is 1-cyclohexyl-3-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-cyclohexyl-3-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-cyclohexyl-3-phenylprop-2-yn-1-ol is OC(C#Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-phenylprop-2-yn-1-ol?
The InChIKey is JLHUBNFRCIAJCA-UHFFFAOYSA-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.
What are the key properties of 1-cyclohexyl-3-phenylprop-2-yn-1-ol?
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 1-cyclohexyl-3-phenylprop-2-yn-1-ol is sourced from PubChem (CID 11042123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).