2-(morpholin-4-ylmethyl)-4-phenylphenol

C17H19NO2 — CID 22957

IUPAC2-(morpholin-4-ylmethyl)-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C17H19NO2/c19-17-7-6-15(14-4-2-1-3-5-14)12-16(17)13-18-8-10-20-11-9-18/h1-7,12,19H,8-11,13H2
InChIKeyPHJXERQRCZRIMZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.89
Rot. Bonds3

About 2-(morpholin-4-ylmethyl)-4-phenylphenol

2-(morpholin-4-ylmethyl)-4-phenylphenol (PubChem CID 22957) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-4-phenylphenol.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-4-phenylphenol
PubChem CID22957
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(morpholin-4-ylmethyl)-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C17H19NO2/c19-17-7-6-15(14-4-2-1-3-5-14)12-16(17)13-18-8-10-20-11-9-18/h1-7,12,19H,8-11,13H2
InChIKeyPHJXERQRCZRIMZ-UHFFFAOYSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(morpholin-4-ylmethyl)-4-phenylphenol?
The IUPAC name of 2-(morpholin-4-ylmethyl)-4-phenylphenol (CID 22957) is 2-(morpholin-4-ylmethyl)-4-phenylphenol.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-4-phenylphenol?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-4-phenylphenol?
The InChIKey is PHJXERQRCZRIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17-7-6-15(14-4-2-1-3-5-14)12-16(17)13-18-8-10-20-11-9-18/h1-7,12,19H,8-11,13H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-4-phenylphenol?
2-(morpholin-4-ylmethyl)-4-phenylphenol has a molecular weight of 269.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-4-phenylphenol is sourced from PubChem (CID 22957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).