(1R)-1-phenylprop-2-yn-1-ol

C9H8O — CID 6993954

IUPAC(1R)-1-phenylprop-2-yn-1-ol
SMILESC#C[C@@H](O)c1ccccc1
InChIInChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1
InChIKeyUIGLAZDLBZDVBL-SECBINFHSA-N
MW132.16 g/mol
LogP1.35
Rot. Bonds1

About (1R)-1-phenylprop-2-yn-1-ol

(1R)-1-phenylprop-2-yn-1-ol (PubChem CID 6993954) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is (1R)-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-phenylprop-2-yn-1-ol
PubChem CID6993954
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name(1R)-1-phenylprop-2-yn-1-ol
SMILESC#C[C@@H](O)c1ccccc1
InChIInChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1
InChIKeyUIGLAZDLBZDVBL-SECBINFHSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.35
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 (1R)-1-phenylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-phenylprop-2-yn-1-ol (CID 6993954) is (1R)-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-phenylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-phenylprop-2-yn-1-ol is C#C[C@@H](O)c1ccccc1.
What is the InChIKey of (1R)-1-phenylprop-2-yn-1-ol?
The InChIKey is UIGLAZDLBZDVBL-SECBINFHSA-N. The full InChI is InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1.
What are the key properties of (1R)-1-phenylprop-2-yn-1-ol?
(1R)-1-phenylprop-2-yn-1-ol has a molecular weight of 132.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 6993954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).