2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone

C21H19NO3 — CID 67203134

IUPAC2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone
SMILESO=C(CNc1cccc(CO)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-15-16-5-4-6-18(13-16)22-14-21(24)17-9-11-20(12-10-17)25-19-7-2-1-3-8-19/h1-13,22-23H,14-15H2
InChIKeyXOAHWPILKAYJJP-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.27
Rot. Bonds7

About 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone

2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone (PubChem CID 67203134) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone
PubChem CID67203134
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone
SMILESO=C(CNc1cccc(CO)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-15-16-5-4-6-18(13-16)22-14-21(24)17-9-11-20(12-10-17)25-19-7-2-1-3-8-19/h1-13,22-23H,14-15H2
InChIKeyXOAHWPILKAYJJP-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone 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

2-[3-(4-methylpentyl)anilino]-1-(4-phenoxyphenyl)ethanone
CID 123586640
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-[3-(hydroxymethyl)anilino]-2-(4-phenoxyphenyl)acetaldehyde
CID 87308004
1-[3-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 153485063
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
oxalic acid;1-(4-phenoxyphenyl)-2-(propan-2-ylamino)ethanone
CID 19597477
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone?
The IUPAC name of 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone (CID 67203134) is 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone is O=C(CNc1cccc(CO)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone?
The InChIKey is XOAHWPILKAYJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-15-16-5-4-6-18(13-16)22-14-21(24)17-9-11-20(12-10-17)25-19-7-2-1-3-8-19/h1-13,22-23H,14-15H2.
What are the key properties of 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone?
2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone has a molecular weight of 333.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 67203134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).