3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol

C20H19NO2 — CID 134325502

IUPAC3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol
SMILESNOCCc1cc(-c2ccccc2)ccc1-c1cccc(O)c1
InChIInChI=1S/C20H19NO2/c21-23-12-11-18-13-16(15-5-2-1-3-6-15)9-10-20(18)17-7-4-8-19(22)14-17/h1-10,13-14,22H,11-12,21H2
InChIKeyGBJCYXMWNUFXGO-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.16
Rot. Bonds5

About 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol

3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol (PubChem CID 134325502) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol.

Molecular Properties

Compound Name3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol
PubChem CID134325502
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol
SMILESNOCCc1cc(-c2ccccc2)ccc1-c1cccc(O)c1
InChIInChI=1S/C20H19NO2/c21-23-12-11-18-13-16(15-5-2-1-3-6-15)9-10-20(18)17-7-4-8-19(22)14-17/h1-10,13-14,22H,11-12,21H2
InChIKeyGBJCYXMWNUFXGO-UHFFFAOYSA-N
XLogP4.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol?
The IUPAC name of 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol (CID 134325502) is 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol.
What is the SMILES notation for 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol?
The canonical SMILES for 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol is NOCCc1cc(-c2ccccc2)ccc1-c1cccc(O)c1.
What is the InChIKey of 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol?
The InChIKey is GBJCYXMWNUFXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c21-23-12-11-18-13-16(15-5-2-1-3-6-15)9-10-20(18)17-7-4-8-19(22)14-17/h1-10,13-14,22H,11-12,21H2.
What are the key properties of 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol?
3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminooxyethyl)-4-phenylphenyl]phenol is sourced from PubChem (CID 134325502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).