1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene

C24H28O — CID 70535688

IUPAC1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C(C=C(C)C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28O/c1-3-17-25-23-15-13-22(14-16-23)24(21-11-5-4-6-12-21)18-19(2)20-9-7-8-10-20/h3-6,11-16,18,20,24H,1,7-10,17H2,2H3
InChIKeyYRKNUQLAFWGHPO-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.52
Rot. Bonds7

About 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene

1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene (PubChem CID 70535688) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene
PubChem CID70535688
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C(C=C(C)C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28O/c1-3-17-25-23-15-13-22(14-16-23)24(21-11-5-4-6-12-21)18-19(2)20-9-7-8-10-20/h3-6,11-16,18,20,24H,1,7-10,17H2,2H3
InChIKeyYRKNUQLAFWGHPO-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene?
The IUPAC name of 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene (CID 70535688) is 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene is C=CCOc1ccc(C(C=C(C)C2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene?
The InChIKey is YRKNUQLAFWGHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-3-17-25-23-15-13-22(14-16-23)24(21-11-5-4-6-12-21)18-19(2)20-9-7-8-10-20/h3-6,11-16,18,20,24H,1,7-10,17H2,2H3.
What are the key properties of 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene?
1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene has a molecular weight of 332.49 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1-phenylbut-2-enyl)-4-prop-2-enoxybenzene is sourced from PubChem (CID 70535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).