3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene

C44H44O5 — CID 144823066

About 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene

3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene (PubChem CID 144823066) has the molecular formula C44H44O5 and a molecular weight of 652.83 g/mol. Its IUPAC name is 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene.

Molecular Properties

• Compound Name: 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene
• PubChem CID: 144823066
• Molecular Formula: C44H44O5
• Molecular Weight: 652.83 g/mol
• Exact Mass: 652.32
• IUPAC Name: 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene
• SMILES: C=C(C)/C=C\C=C(C)C.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(O)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C35H30O5.C9H14/c1-37-30-14-9-27(10-15-30)35(26-6-4-3-5-7-26,28-11-16-31(38-2)17-12-28)40-22-24-8-18-33-32-19-13-29(36)21-25(32)23-39-34(33)20-24;1-8(2)6-5-7-9(3)4/h3-21,36H,22-23H2,1-2H3;5-7H,1H2,2-4H3/b;6-5-
• InChIKey: RDUOYGMAFGKURN-JXGYXAOLSA-N
• XLogP: 10.56
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.83
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene?

The IUPAC name of 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene (CID 144823066) is 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene.

What is the SMILES notation for 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene?

The canonical SMILES for 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene is C=C(C)/C=C\C=C(C)C.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(O)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene?

The InChIKey is RDUOYGMAFGKURN-JXGYXAOLSA-N. The full InChI is InChI=1S/C35H30O5.C9H14/c1-37-30-14-9-27(10-15-30)35(26-6-4-3-5-7-26,28-11-16-31(38-2)17-12-28)40-22-24-8-18-33-32-19-13-29(36)21-25(32)23-39-34(33)20-24;1-8(2)6-5-7-9(3)4/h3-21,36H,22-23H2,1-2H3;5-7H,1H2,2-4H3/b;6-5-.

What are the key properties of 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene?

3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene has a molecular weight of 652.83 g/mol, XLogP of 10.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 144823066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).