1-(2-phenylethynyl)cyclopropan-1-ol

C11H10O — CID 11126537

IUPAC1-(2-phenylethynyl)cyclopropan-1-ol
SMILESOC1(C#Cc2ccccc2)CC1
InChIInChI=1S/C11H10O/c12-11(8-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,8-9H2
InChIKeyAHBCFDIWEGOLMV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.56
Rot. Bonds

About 1-(2-phenylethynyl)cyclopropan-1-ol

1-(2-phenylethynyl)cyclopropan-1-ol (PubChem CID 11126537) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2-phenylethynyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-phenylethynyl)cyclopropan-1-ol
PubChem CID11126537
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-(2-phenylethynyl)cyclopropan-1-ol
SMILESOC1(C#Cc2ccccc2)CC1
InChIInChI=1S/C11H10O/c12-11(8-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,8-9H2
InChIKeyAHBCFDIWEGOLMV-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.56
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 1-(2-phenylethynyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-phenylethynyl)cyclopropan-1-ol (CID 11126537) is 1-(2-phenylethynyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-phenylethynyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-phenylethynyl)cyclopropan-1-ol is OC1(C#Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethynyl)cyclopropan-1-ol?
The InChIKey is AHBCFDIWEGOLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-11(8-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,8-9H2.
What are the key properties of 1-(2-phenylethynyl)cyclopropan-1-ol?
1-(2-phenylethynyl)cyclopropan-1-ol has a molecular weight of 158.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethynyl)cyclopropan-1-ol is sourced from PubChem (CID 11126537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).