2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol

C23H27NO5 — CID 4832190

IUPAC2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
SMILESCOc1ccc(COCC(O)CN(Cc2ccco2)Cc2ccccc2O)cc1
InChIInChI=1S/C23H27NO5/c1-27-21-10-8-18(9-11-21)16-28-17-20(25)14-24(15-22-6-4-12-29-22)13-19-5-2-3-7-23(19)26/h2-12,20,25-26H,13-17H2,1H3
InChIKeyUTHQOGRCZCRLBQ-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.57
Rot. Bonds11

About 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol

2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol (PubChem CID 4832190) 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-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
PubChem CID4832190
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol
SMILESCOc1ccc(COCC(O)CN(Cc2ccco2)Cc2ccccc2O)cc1
InChIInChI=1S/C23H27NO5/c1-27-21-10-8-18(9-11-21)16-28-17-20(25)14-24(15-22-6-4-12-29-22)13-19-5-2-3-7-23(19)26/h2-12,20,25-26H,13-17H2,1H3
InChIKeyUTHQOGRCZCRLBQ-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-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
The IUPAC name of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol (CID 4832190) is 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
The canonical SMILES for 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol is COc1ccc(COCC(O)CN(Cc2ccco2)Cc2ccccc2O)cc1.
What is the InChIKey of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
The InChIKey is UTHQOGRCZCRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-27-21-10-8-18(9-11-21)16-28-17-20(25)14-24(15-22-6-4-12-29-22)13-19-5-2-3-7-23(19)26/h2-12,20,25-26H,13-17H2,1H3.
What are the key properties of 2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol?
2-[[furan-2-ylmethyl-[2-hydroxy-3-[(4-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-[(4-methoxyphenyl)methoxy]propyl]amino]methyl]phenol is sourced from PubChem (CID 4832190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).