3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one

C24H28O4 — CID 54041643

About 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one

3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 54041643) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
• PubChem CID: 54041643
• Molecular Formula: C24H28O4
• Molecular Weight: 380.48 g/mol
• Exact Mass: 380.20
• IUPAC Name: 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
• SMILES: C=CCOc1ccc(C(=O)C=Cc2ccc(OC(C)C)cc2OC(C)C)cc1
• InChI: InChI=1S/C24H28O4/c1-6-15-26-21-11-7-19(8-12-21)23(25)14-10-20-9-13-22(27-17(2)3)16-24(20)28-18(4)5/h6-14,16-18H,1,15H2,2-5H3
• InChIKey: LMTNDZXGCQQAQD-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.48
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?

The IUPAC name of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 54041643) is 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

What is the SMILES notation for 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?

The canonical SMILES for 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C(=O)C=Cc2ccc(OC(C)C)cc2OC(C)C)cc1.

What is the InChIKey of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?

The InChIKey is LMTNDZXGCQQAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-6-15-26-21-11-7-19(8-12-21)23(25)14-10-20-9-13-22(27-17(2)3)16-24(20)28-18(4)5/h6-14,16-18H,1,15H2,2-5H3.

What are the key properties of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?

3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 380.48 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54041643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).