1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol

C13H14O2 — CID 141489932

IUPAC1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol
SMILESOC(C#Cc1ccccc1)C1(O)CCC1
InChIInChI=1S/C13H14O2/c14-12(13(15)9-4-10-13)8-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,9-10H2
InChIKeyBFAKQYQGEYDWLM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.31
Rot. Bonds1

About 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol

1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol (PubChem CID 141489932) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol
PubChem CID141489932
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol
SMILESOC(C#Cc1ccccc1)C1(O)CCC1
InChIInChI=1S/C13H14O2/c14-12(13(15)9-4-10-13)8-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,9-10H2
InChIKeyBFAKQYQGEYDWLM-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol?
The IUPAC name of 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol (CID 141489932) is 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol?
The canonical SMILES for 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol is OC(C#Cc1ccccc1)C1(O)CCC1.
What is the InChIKey of 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol?
The InChIKey is BFAKQYQGEYDWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-12(13(15)9-4-10-13)8-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,9-10H2.
What are the key properties of 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol?
1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol has a molecular weight of 202.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-phenylprop-2-ynyl)cyclobutan-1-ol is sourced from PubChem (CID 141489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).