(3R)-1-phenylpent-1-yn-3-ol

C11H12O — CID 10898984

IUPAC(3R)-1-phenylpent-1-yn-3-ol
SMILESCC[C@@H](O)C#Cc1ccccc1
InChIInChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3/t11-/m1/s1
InChIKeyQWCMSASONHVIHV-LLVKDONJSA-N
MW160.22 g/mol
LogP1.81
Rot. Bonds1

About (3R)-1-phenylpent-1-yn-3-ol

(3R)-1-phenylpent-1-yn-3-ol (PubChem CID 10898984) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (3R)-1-phenylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-1-phenylpent-1-yn-3-ol
PubChem CID10898984
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(3R)-1-phenylpent-1-yn-3-ol
SMILESCC[C@@H](O)C#Cc1ccccc1
InChIInChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3/t11-/m1/s1
InChIKeyQWCMSASONHVIHV-LLVKDONJSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
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 (3R)-1-phenylpent-1-yn-3-ol?
The IUPAC name of (3R)-1-phenylpent-1-yn-3-ol (CID 10898984) is (3R)-1-phenylpent-1-yn-3-ol.
What is the SMILES notation for (3R)-1-phenylpent-1-yn-3-ol?
The canonical SMILES for (3R)-1-phenylpent-1-yn-3-ol is CC[C@@H](O)C#Cc1ccccc1.
What is the InChIKey of (3R)-1-phenylpent-1-yn-3-ol?
The InChIKey is QWCMSASONHVIHV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-phenylpent-1-yn-3-ol?
(3R)-1-phenylpent-1-yn-3-ol has a molecular weight of 160.22 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 (3R)-1-phenylpent-1-yn-3-ol is sourced from PubChem (CID 10898984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).