(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one

C33H28O4 — CID 92531173

About (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one

(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one (PubChem CID 92531173) has the molecular formula C33H28O4 and a molecular weight of 488.58 g/mol. Its IUPAC name is (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

• Compound Name: (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
• PubChem CID: 92531173
• Molecular Formula: C33H28O4
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.20
• IUPAC Name: (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
• SMILES: O=C(/C=C\c1ccc(OCCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1)c1ccccc1
• InChI: InChI=1S/C33H28O4/c34-32(28-8-3-1-4-9-28)22-16-26-12-18-30(19-13-26)36-24-7-25-37-31-20-14-27(15-21-31)17-23-33(35)29-10-5-2-6-11-29/h1-6,8-23H,7,24-25H2/b22-16-,23-17-
• InChIKey: PGRWJZWSBPJOHK-IDUDEYGOSA-N
• XLogP: 7.33
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one?

The IUPAC name of (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one (CID 92531173) is (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one.

What is the SMILES notation for (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one?

The canonical SMILES for (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one is O=C(/C=C\c1ccc(OCCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1)c1ccccc1.

What is the InChIKey of (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one?

The InChIKey is PGRWJZWSBPJOHK-IDUDEYGOSA-N. The full InChI is InChI=1S/C33H28O4/c34-32(28-8-3-1-4-9-28)22-16-26-12-18-30(19-13-26)36-24-7-25-37-31-20-14-27(15-21-31)17-23-33(35)29-10-5-2-6-11-29/h1-6,8-23H,7,24-25H2/b22-16-,23-17-.

What are the key properties of (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one?

(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 488.58 g/mol, XLogP of 7.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 92531173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).