3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol

C26H31NO7 — CID 16832748

IUPAC3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol
SMILESCOc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)c2cccc(O)c2)cc1
InChIInChI=1S/C26H31NO7/c1-31-23-6-10-25(11-7-23)33-17-21(29)15-27(19-4-3-5-20(28)14-19)16-22(30)18-34-26-12-8-24(32-2)9-13-26/h3-14,21-22,28-30H,15-18H2,1-2H3
InChIKeyGUMHGLZFELHKGS-UHFFFAOYSA-N
MW469.53 g/mol
LogP3.10
Rot. Bonds13

About 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol

3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol (PubChem CID 16832748) has the molecular formula C26H31NO7 and a molecular weight of 469.53 g/mol. Its IUPAC name is 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol.

Molecular Properties

Compound Name3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol
PubChem CID16832748
Molecular FormulaC26H31NO7
Molecular Weight469.53 g/mol
Exact Mass469.21
IUPAC Name3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol
SMILESCOc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)c2cccc(O)c2)cc1
InChIInChI=1S/C26H31NO7/c1-31-23-6-10-25(11-7-23)33-17-21(29)15-27(19-4-3-5-20(28)14-19)16-22(30)18-34-26-12-8-24(32-2)9-13-26/h3-14,21-22,28-30H,15-18H2,1-2H3
InChIKeyGUMHGLZFELHKGS-UHFFFAOYSA-N
XLogP3.10
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol?
The IUPAC name of 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol (CID 16832748) is 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol.
What is the SMILES notation for 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol?
The canonical SMILES for 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol is COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol?
The InChIKey is GUMHGLZFELHKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO7/c1-31-23-6-10-25(11-7-23)33-17-21(29)15-27(19-4-3-5-20(28)14-19)16-22(30)18-34-26-12-8-24(32-2)9-13-26/h3-14,21-22,28-30H,15-18H2,1-2H3.
What are the key properties of 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol?
3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol has a molecular weight of 469.53 g/mol, XLogP of 3.10, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol is sourced from PubChem (CID 16832748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).