5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene

C22H26O — CID 57107479

IUPAC5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene
SMILESC=CC(CCOCCC(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26O/c1-3-19(21-11-7-5-8-12-21)15-17-23-18-16-20(4-2)22-13-9-6-10-14-22/h3-14,19-20H,1-2,15-18H2
InChIKeyQSEUTNUOSSFCBO-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.72
Rot. Bonds10

About 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene

5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene (PubChem CID 57107479) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene.

Molecular Properties

Compound Name5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene
PubChem CID57107479
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene
SMILESC=CC(CCOCCC(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26O/c1-3-19(21-11-7-5-8-12-21)15-17-23-18-16-20(4-2)22-13-9-6-10-14-22/h3-14,19-20H,1-2,15-18H2
InChIKeyQSEUTNUOSSFCBO-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene 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 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene?
The IUPAC name of 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene (CID 57107479) is 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene.
What is the SMILES notation for 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene?
The canonical SMILES for 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene is C=CC(CCOCCC(C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene?
The InChIKey is QSEUTNUOSSFCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-3-19(21-11-7-5-8-12-21)15-17-23-18-16-20(4-2)22-13-9-6-10-14-22/h3-14,19-20H,1-2,15-18H2.
What are the key properties of 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene?
5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene has a molecular weight of 306.45 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpent-4-enoxy)pent-1-en-3-ylbenzene is sourced from PubChem (CID 57107479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).