2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol

C23H27NO5 — CID 4830955

IUPAC2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
SMILESCOc1ccccc1COCC(O)CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C23H27NO5/c1-27-23-11-5-3-8-19(23)16-28-17-20(25)14-24(15-21-9-6-12-29-21)13-18-7-2-4-10-22(18)26/h2-12,20,25-26H,13-17H2,1H3
InChIKeyAKZURUOWLYNVIC-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.57
Rot. Bonds11

About 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol

2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol (PubChem CID 4830955) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
PubChem CID4830955
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
SMILESCOc1ccccc1COCC(O)CN(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C23H27NO5/c1-27-23-11-5-3-8-19(23)16-28-17-20(25)14-24(15-21-9-6-12-29-21)13-18-7-2-4-10-22(18)26/h2-12,20,25-26H,13-17H2,1H3
InChIKeyAKZURUOWLYNVIC-UHFFFAOYSA-N
XLogP3.57
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
The IUPAC name of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol (CID 4830955) is 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
The canonical SMILES for 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol is COc1ccccc1COCC(O)CN(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
The InChIKey is AKZURUOWLYNVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-27-23-11-5-3-8-19(23)16-28-17-20(25)14-24(15-21-9-6-12-29-21)13-18-7-2-4-10-22(18)26/h2-12,20,25-26H,13-17H2,1H3.
What are the key properties of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol has a molecular weight of 397.47 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]methyl]phenol is sourced from PubChem (CID 4830955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).