(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol

C23H22O — CID 11522533

IUPAC(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol
SMILESOC(C#Cc1ccccc1)(/C=C/c1ccccc1)C1=CCCCC1
InChIInChI=1S/C23H22O/c24-23(22-14-8-3-9-15-22,18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-2,4-7,10-14,16,18,24H,3,8-9,15H2/b18-16+
InChIKeyAEDNSQCROIMKGJ-FBMGVBCBSA-N
MW314.43 g/mol
LogP4.98
Rot. Bonds3

About (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol

(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol (PubChem CID 11522533) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol
PubChem CID11522533
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol
SMILESOC(C#Cc1ccccc1)(/C=C/c1ccccc1)C1=CCCCC1
InChIInChI=1S/C23H22O/c24-23(22-14-8-3-9-15-22,18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-2,4-7,10-14,16,18,24H,3,8-9,15H2/b18-16+
InChIKeyAEDNSQCROIMKGJ-FBMGVBCBSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol?
The IUPAC name of (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol (CID 11522533) is (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol.
What is the SMILES notation for (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol?
The canonical SMILES for (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol is OC(C#Cc1ccccc1)(/C=C/c1ccccc1)C1=CCCCC1.
What is the InChIKey of (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol?
The InChIKey is AEDNSQCROIMKGJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C23H22O/c24-23(22-14-8-3-9-15-22,18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-2,4-7,10-14,16,18,24H,3,8-9,15H2/b18-16+.
What are the key properties of (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol?
(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol has a molecular weight of 314.43 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 11522533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).