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

C12H12O — CID 130716301

IUPAC(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
SMILESO[C@H](C#Cc1ccccc1)C1CC1
InChIInChI=1S/C12H12O/c13-12(11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-13H,7-8H2/t12-/m1/s1
InChIKeySBIKURHIZAAJNQ-GFCCVEGCSA-N
MW172.23 g/mol
LogP1.81
Rot. Bonds1

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

(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol (PubChem CID 130716301) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
PubChem CID130716301
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
SMILESO[C@H](C#Cc1ccccc1)C1CC1
InChIInChI=1S/C12H12O/c13-12(11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-13H,7-8H2/t12-/m1/s1
InChIKeySBIKURHIZAAJNQ-GFCCVEGCSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.81
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-cyclopropyl-3-phenylprop-2-yn-1-ol?
The IUPAC name of (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol (CID 130716301) is (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol is O[C@H](C#Cc1ccccc1)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol?
The InChIKey is SBIKURHIZAAJNQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12O/c13-12(11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-13H,7-8H2/t12-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol?
(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol has a molecular weight of 172.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol is sourced from PubChem (CID 130716301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).