[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol

C14H15NO3 — CID 176989777

IUPAC[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccccc2NO)cc1
InChIInChI=1S/C14H15NO3/c16-9-11-5-7-12(8-6-11)10-18-14-4-2-1-3-13(14)15-17/h1-8,15-17H,9-10H2
InChIKeyKGNWXPHVAJVEMW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.56
Rot. Bonds5

About [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol

[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol (PubChem CID 176989777) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
PubChem CID176989777
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccccc2NO)cc1
InChIInChI=1S/C14H15NO3/c16-9-11-5-7-12(8-6-11)10-18-14-4-2-1-3-13(14)15-17/h1-8,15-17H,9-10H2
InChIKeyKGNWXPHVAJVEMW-UHFFFAOYSA-N
XLogP2.56
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006746
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 7506189
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol (CID 176989777) is [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol is OCc1ccc(COc2ccccc2NO)cc1.
What is the InChIKey of [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol?
The InChIKey is KGNWXPHVAJVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-9-11-5-7-12(8-6-11)10-18-14-4-2-1-3-13(14)15-17/h1-8,15-17H,9-10H2.
What are the key properties of [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol?
[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol has a molecular weight of 245.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol is sourced from PubChem (CID 176989777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).