2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol

C32H35NO6 — CID 25149122

IUPAC2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol
SMILESCOc1ccc(C(OCCNCc2ccc(OC)c(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H35NO6/c1-35-27-12-6-24(7-13-27)32(25-8-14-28(36-2)15-9-25,26-10-16-29(37-3)17-11-26)39-20-19-33-22-23-5-18-31(38-4)30(34)21-23/h5-18,21,33-34H,19-20,22H2,1-4H3
InChIKeyABXMUSSRHPUIJT-UHFFFAOYSA-N
MW529.63 g/mol
LogP5.52
Rot. Bonds13

About 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol

2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol (PubChem CID 25149122) has the molecular formula C32H35NO6 and a molecular weight of 529.63 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol
PubChem CID25149122
Molecular FormulaC32H35NO6
Molecular Weight529.63 g/mol
Exact Mass529.25
IUPAC Name2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol
SMILESCOc1ccc(C(OCCNCc2ccc(OC)c(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H35NO6/c1-35-27-12-6-24(7-13-27)32(25-8-14-28(36-2)15-9-25,26-10-16-29(37-3)17-11-26)39-20-19-33-22-23-5-18-31(38-4)30(34)21-23/h5-18,21,33-34H,19-20,22H2,1-4H3
InChIKeyABXMUSSRHPUIJT-UHFFFAOYSA-N
XLogP5.52
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.63
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol (CID 25149122) is 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol is COc1ccc(C(OCCNCc2ccc(OC)c(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol?
The InChIKey is ABXMUSSRHPUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO6/c1-35-27-12-6-24(7-13-27)32(25-8-14-28(36-2)15-9-25,26-10-16-29(37-3)17-11-26)39-20-19-33-22-23-5-18-31(38-4)30(34)21-23/h5-18,21,33-34H,19-20,22H2,1-4H3.
What are the key properties of 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol?
2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol has a molecular weight of 529.63 g/mol, XLogP of 5.52, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-[tris(4-methoxyphenyl)methoxy]ethylamino]methyl]phenol is sourced from PubChem (CID 25149122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).