2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene

C24H30O2 — CID 54758364

IUPAC2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene
SMILESC=CCc1ccc(OCCC)c(-c2ccc(OCCC)c(CC=C)c2)c1
InChIInChI=1S/C24H30O2/c1-5-9-19-11-13-24(26-16-8-4)22(17-19)20-12-14-23(25-15-7-3)21(18-20)10-6-2/h5-6,11-14,17-18H,1-2,7-10,15-16H2,3-4H3
InChIKeyAWLYPTOYXITFRX-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.39
Rot. Bonds11

About 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene

2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene (PubChem CID 54758364) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene.

Molecular Properties

Compound Name2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene
PubChem CID54758364
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene
SMILESC=CCc1ccc(OCCC)c(-c2ccc(OCCC)c(CC=C)c2)c1
InChIInChI=1S/C24H30O2/c1-5-9-19-11-13-24(26-16-8-4)22(17-19)20-12-14-23(25-15-7-3)21(18-20)10-6-2/h5-6,11-14,17-18H,1-2,7-10,15-16H2,3-4H3
InChIKeyAWLYPTOYXITFRX-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene?
The IUPAC name of 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene (CID 54758364) is 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene.
What is the SMILES notation for 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene?
The canonical SMILES for 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene is C=CCc1ccc(OCCC)c(-c2ccc(OCCC)c(CC=C)c2)c1.
What is the InChIKey of 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene?
The InChIKey is AWLYPTOYXITFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-5-9-19-11-13-24(26-16-8-4)22(17-19)20-12-14-23(25-15-7-3)21(18-20)10-6-2/h5-6,11-14,17-18H,1-2,7-10,15-16H2,3-4H3.
What are the key properties of 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene?
2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene has a molecular weight of 350.50 g/mol, XLogP of 6.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-(5-prop-2-enyl-2-propoxyphenyl)-1-propoxybenzene is sourced from PubChem (CID 54758364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).