(2R)-7-phenylhepta-4,6-diyn-2-ol

C13H12O — CID 10125118

IUPAC(2R)-7-phenylhepta-4,6-diyn-2-ol
SMILESC[C@@H](O)CC#CC#Cc1ccccc1
InChIInChI=1S/C13H12O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-12,14H,8H2,1H3/t12-/m1/s1
InChIKeyQUBDTHLFIKDCBG-GFCCVEGCSA-N
MW184.24 g/mol
LogP1.81
Rot. Bonds1

About (2R)-7-phenylhepta-4,6-diyn-2-ol

(2R)-7-phenylhepta-4,6-diyn-2-ol (PubChem CID 10125118) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-7-phenylhepta-4,6-diyn-2-ol.

Molecular Properties

Compound Name(2R)-7-phenylhepta-4,6-diyn-2-ol
PubChem CID10125118
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name(2R)-7-phenylhepta-4,6-diyn-2-ol
SMILESC[C@@H](O)CC#CC#Cc1ccccc1
InChIInChI=1S/C13H12O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-12,14H,8H2,1H3/t12-/m1/s1
InChIKeyQUBDTHLFIKDCBG-GFCCVEGCSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-7-phenylhepta-4,6-diyn-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 (2R)-7-phenylhepta-4,6-diyn-2-ol?
The IUPAC name of (2R)-7-phenylhepta-4,6-diyn-2-ol (CID 10125118) is (2R)-7-phenylhepta-4,6-diyn-2-ol.
What is the SMILES notation for (2R)-7-phenylhepta-4,6-diyn-2-ol?
The canonical SMILES for (2R)-7-phenylhepta-4,6-diyn-2-ol is C[C@@H](O)CC#CC#Cc1ccccc1.
What is the InChIKey of (2R)-7-phenylhepta-4,6-diyn-2-ol?
The InChIKey is QUBDTHLFIKDCBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-12,14H,8H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-7-phenylhepta-4,6-diyn-2-ol?
(2R)-7-phenylhepta-4,6-diyn-2-ol has a molecular weight of 184.24 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 (2R)-7-phenylhepta-4,6-diyn-2-ol is sourced from PubChem (CID 10125118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).