(E)-7-phenylhept-2-en-4,6-diyn-1-ol

C13H10O — CID 6437824

IUPAC(E)-7-phenylhept-2-en-4,6-diyn-1-ol
SMILESOC/C=C/C#CC#Cc1ccccc1
InChIInChI=1S/C13H10O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h3-4,6-8,10-11,14H,12H2/b8-3+
InChIKeyZCVJXGJSBVZTMM-FPYGCLRLSA-N
MW182.22 g/mol
LogP1.59
Rot. Bonds1

About (E)-7-phenylhept-2-en-4,6-diyn-1-ol

(E)-7-phenylhept-2-en-4,6-diyn-1-ol (PubChem CID 6437824) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is (E)-7-phenylhept-2-en-4,6-diyn-1-ol.

Molecular Properties

Compound Name(E)-7-phenylhept-2-en-4,6-diyn-1-ol
PubChem CID6437824
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name(E)-7-phenylhept-2-en-4,6-diyn-1-ol
SMILESOC/C=C/C#CC#Cc1ccccc1
InChIInChI=1S/C13H10O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h3-4,6-8,10-11,14H,12H2/b8-3+
InChIKeyZCVJXGJSBVZTMM-FPYGCLRLSA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.59
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 (E)-7-phenylhept-2-en-4,6-diyn-1-ol?
The IUPAC name of (E)-7-phenylhept-2-en-4,6-diyn-1-ol (CID 6437824) is (E)-7-phenylhept-2-en-4,6-diyn-1-ol.
What is the SMILES notation for (E)-7-phenylhept-2-en-4,6-diyn-1-ol?
The canonical SMILES for (E)-7-phenylhept-2-en-4,6-diyn-1-ol is OC/C=C/C#CC#Cc1ccccc1.
What is the InChIKey of (E)-7-phenylhept-2-en-4,6-diyn-1-ol?
The InChIKey is ZCVJXGJSBVZTMM-FPYGCLRLSA-N. The full InChI is InChI=1S/C13H10O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h3-4,6-8,10-11,14H,12H2/b8-3+.
What are the key properties of (E)-7-phenylhept-2-en-4,6-diyn-1-ol?
(E)-7-phenylhept-2-en-4,6-diyn-1-ol has a molecular weight of 182.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-phenylhept-2-en-4,6-diyn-1-ol is sourced from PubChem (CID 6437824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).