1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)

C23H27O4Os — CID 147263623

About 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)

1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+) (PubChem CID 147263623) has the molecular formula C23H27O4Os and a molecular weight of 557.70 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+).

Molecular Properties

• Compound Name: 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)
• PubChem CID: 147263623
• Molecular Formula: C23H27O4Os
• Molecular Weight: 557.70 g/mol
• Exact Mass: 559.15
• IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)
• SMILES: [CH2-]C(CC(=O)c1ccc(OC)cc1O)c1ccc(OC)c(CC=C(C)C)c1.[Os+]
• InChI: InChI=1S/C23H27O4.Os/c1-15(2)6-7-18-13-17(8-11-23(18)27-5)16(3)12-21(24)20-10-9-19(26-4)14-22(20)25;/h6,8-11,13-14,16,25H,3,7,12H2,1-2,4-5H3;/q-1;+1
• InChIKey: LCLQCCMMCOXRKN-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)?

The IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+) (CID 147263623) is 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+).

What is the SMILES notation for 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)?

The canonical SMILES for 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+) is [CH2-]C(CC(=O)c1ccc(OC)cc1O)c1ccc(OC)c(CC=C(C)C)c1.[Os+].

What is the InChIKey of 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)?

The InChIKey is LCLQCCMMCOXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27O4.Os/c1-15(2)6-7-18-13-17(8-11-23(18)27-5)16(3)12-21(24)20-10-9-19(26-4)14-22(20)25;/h6,8-11,13-14,16,25H,3,7,12H2,1-2,4-5H3;/q-1;+1.

What are the key properties of 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+)?

1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+) has a molecular weight of 557.70 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one;osmium(1+) is sourced from PubChem (CID 147263623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).