4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol

C16H17NO3 — CID 156620126

IUPAC4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol
SMILESCOc1ccc(C2(Nc3ccc(O)cc3)COC2)cc1
InChIInChI=1S/C16H17NO3/c1-19-15-8-2-12(3-9-15)16(10-20-11-16)17-13-4-6-14(18)7-5-13/h2-9,17-18H,10-11H2,1H3
InChIKeyNAENDXQJGBCVTJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.74
Rot. Bonds4

About 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol

4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol (PubChem CID 156620126) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol
PubChem CID156620126
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol
SMILESCOc1ccc(C2(Nc3ccc(O)cc3)COC2)cc1
InChIInChI=1S/C16H17NO3/c1-19-15-8-2-12(3-9-15)16(10-20-11-16)17-13-4-6-14(18)7-5-13/h2-9,17-18H,10-11H2,1H3
InChIKeyNAENDXQJGBCVTJ-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol?
The IUPAC name of 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol (CID 156620126) is 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol is COc1ccc(C2(Nc3ccc(O)cc3)COC2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol?
The InChIKey is NAENDXQJGBCVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-8-2-12(3-9-15)16(10-20-11-16)17-13-4-6-14(18)7-5-13/h2-9,17-18H,10-11H2,1H3.
What are the key properties of 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol?
4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol is sourced from PubChem (CID 156620126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).