(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol

C13H14O — CID 5363893

IUPAC(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol
SMILESCC(C)(O)C#C/C=C/c1ccccc1
InChIInChI=1S/C13H14O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,14H,1-2H3/b10-6+
InChIKeyUBWMSPNNSZMLQI-UXBLZVDNSA-N
MW186.25 g/mol
LogP2.47
Rot. Bonds1

About (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol

(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol (PubChem CID 5363893) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol
PubChem CID5363893
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol
SMILESCC(C)(O)C#C/C=C/c1ccccc1
InChIInChI=1S/C13H14O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,14H,1-2H3/b10-6+
InChIKeyUBWMSPNNSZMLQI-UXBLZVDNSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol?
The IUPAC name of (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol (CID 5363893) is (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol.
What is the SMILES notation for (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol?
The canonical SMILES for (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol is CC(C)(O)C#C/C=C/c1ccccc1.
What is the InChIKey of (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol?
The InChIKey is UBWMSPNNSZMLQI-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H14O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,14H,1-2H3/b10-6+.
What are the key properties of (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol?
(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol has a molecular weight of 186.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol is sourced from PubChem (CID 5363893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).