3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol

C21H21NO2 — CID 2989791

IUPAC3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol
SMILESOc1cccc(C(O)CNCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2
InChIKeyUECKKYNEEBRMIL-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.88
Rot. Bonds6

About 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol

3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol (PubChem CID 2989791) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol
PubChem CID2989791
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol
SMILESOc1cccc(C(O)CNCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2
InChIKeyUECKKYNEEBRMIL-UHFFFAOYSA-N
XLogP3.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol (CID 2989791) is 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol is Oc1cccc(C(O)CNCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol?
The InChIKey is UECKKYNEEBRMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2.
What are the key properties of 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol?
3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol has a molecular weight of 319.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 2989791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).