2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol

C44H54N2O10 — CID 135889324

About 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol

2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol (PubChem CID 135889324) has the molecular formula C44H54N2O10 and a molecular weight of 770.92 g/mol. Its IUPAC name is 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol.

Molecular Properties

• Compound Name: 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol
• PubChem CID: 135889324
• Molecular Formula: C44H54N2O10
• Molecular Weight: 770.92 g/mol
• Exact Mass: 770.38
• IUPAC Name: 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol
• SMILES: COCCOCCOc1ccccc1-c1cc(/C=N/C2CCCCC2/N=C/c2cc(-c3ccccc3OCCOCCOC)cc(OC)c2O)c(O)c(OC)c1
• InChI: InChI=1S/C44H54N2O10/c1-49-17-19-53-21-23-55-39-15-9-5-11-35(39)31-25-33(43(47)41(27-31)51-3)29-45-37-13-7-8-14-38(37)46-30-34-26-32(28-42(52-4)44(34)48)36-12-6-10-16-40(36)56-24-22-54-20-18-50-2/h5-6,9-12,15-16,25-30,37-38,47-48H,7-8,13-14,17-24H2,1-4H3/b45-29+,46-30+
• InChIKey: HENKMRUWXDJTEA-PGZMIIDGSA-N
• XLogP: 7.38
• TPSA: 139.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.92
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol?

The IUPAC name of 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol (CID 135889324) is 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol.

What is the SMILES notation for 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol?

The canonical SMILES for 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol is COCCOCCOc1ccccc1-c1cc(/C=N/C2CCCCC2/N=C/c2cc(-c3ccccc3OCCOCCOC)cc(OC)c2O)c(O)c(OC)c1.

What is the InChIKey of 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol?

The InChIKey is HENKMRUWXDJTEA-PGZMIIDGSA-N. The full InChI is InChI=1S/C44H54N2O10/c1-49-17-19-53-21-23-55-39-15-9-5-11-35(39)31-25-33(43(47)41(27-31)51-3)29-45-37-13-7-8-14-38(37)46-30-34-26-32(28-42(52-4)44(34)48)36-12-6-10-16-40(36)56-24-22-54-20-18-50-2/h5-6,9-12,15-16,25-30,37-38,47-48H,7-8,13-14,17-24H2,1-4H3/b45-29+,46-30+.

What are the key properties of 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol?

2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol has a molecular weight of 770.92 g/mol, XLogP of 7.38, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol is sourced from PubChem (CID 135889324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).