(E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one

C24H26O4 — CID 18178716

About (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one

(E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one (PubChem CID 18178716) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one
• PubChem CID: 18178716
• Molecular Formula: C24H26O4
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.18
• IUPAC Name: (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one
• SMILES: C=CCc1cc(CC=C)c(OC(C)C)c(/C=C/C(=O)c2ccc(O)cc2)c1O
• InChI: InChI=1S/C24H26O4/c1-5-7-18-15-19(8-6-2)24(28-16(3)4)21(23(18)27)13-14-22(26)17-9-11-20(25)12-10-17/h5-6,9-16,25,27H,1-2,7-8H2,3-4H3/b14-13+
• InChIKey: VEBYCPUHTYVPLE-BUHFOSPRSA-N
• XLogP: 5.24
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
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 (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one?

The IUPAC name of (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one (CID 18178716) is (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one.

What is the SMILES notation for (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one?

The canonical SMILES for (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one is C=CCc1cc(CC=C)c(OC(C)C)c(/C=C/C(=O)c2ccc(O)cc2)c1O.

What is the InChIKey of (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one?

The InChIKey is VEBYCPUHTYVPLE-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H26O4/c1-5-7-18-15-19(8-6-2)24(28-16(3)4)21(23(18)27)13-14-22(26)17-9-11-20(25)12-10-17/h5-6,9-16,25,27H,1-2,7-8H2,3-4H3/b14-13+.

What are the key properties of (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one?

(E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one has a molecular weight of 378.47 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 18178716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).