2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol

C18H25NO4 — CID 91997323

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol
SMILESOCCN(CCO)CCO.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C6H15NO3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-7(2-5-9)3-6-10/h1-9,13H;8-10H,1-6H2
InChIKeyZXIKXDFFNVUMQR-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.32
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol

2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol (PubChem CID 91997323) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol
PubChem CID91997323
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol
SMILESOCCN(CCO)CCO.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C6H15NO3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-7(2-5-9)3-6-10/h1-9,13H;8-10H,1-6H2
InChIKeyZXIKXDFFNVUMQR-UHFFFAOYSA-N
XLogP1.32
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol (CID 91997323) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol is OCCN(CCO)CCO.Oc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol?
The InChIKey is ZXIKXDFFNVUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C6H15NO3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-7(2-5-9)3-6-10/h1-9,13H;8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol?
2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol has a molecular weight of 319.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylphenol is sourced from PubChem (CID 91997323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).