bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone

C23H20N2O3 — CID 174504769

IUPACbis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone
SMILESO=C(c1cn(CO)cc1-c1ccccc1)c1cn(CO)cc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-15-24-11-19(17-7-3-1-4-8-17)21(13-24)23(28)22-14-25(16-27)12-20(22)18-9-5-2-6-10-18/h1-14,26-27H,15-16H2
InChIKeyMKVWPXYWFLKQDW-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.75
Rot. Bonds6

About bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone

bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone (PubChem CID 174504769) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone.

Molecular Properties

Compound Namebis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone
PubChem CID174504769
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namebis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone
SMILESO=C(c1cn(CO)cc1-c1ccccc1)c1cn(CO)cc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-15-24-11-19(17-7-3-1-4-8-17)21(13-24)23(28)22-14-25(16-27)12-20(22)18-9-5-2-6-10-18/h1-14,26-27H,15-16H2
InChIKeyMKVWPXYWFLKQDW-UHFFFAOYSA-N
XLogP3.75
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone 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-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 12624227
[4-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]-phenylmethanone
CID 11151401
4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
CID 14739396
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
bis(4-amino-2-phenylphenyl)methanone
CID 70118096
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
acetic acid;1,1'-biphenyl;zinc
CID 70522083
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760

Frequently Asked Questions

What is the IUPAC name of bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone?
The IUPAC name of bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone (CID 174504769) is bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone.
What is the SMILES notation for bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone?
The canonical SMILES for bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone is O=C(c1cn(CO)cc1-c1ccccc1)c1cn(CO)cc1-c1ccccc1.
What is the InChIKey of bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone?
The InChIKey is MKVWPXYWFLKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-15-24-11-19(17-7-3-1-4-8-17)21(13-24)23(28)22-14-25(16-27)12-20(22)18-9-5-2-6-10-18/h1-14,26-27H,15-16H2.
What are the key properties of bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone?
bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone is sourced from PubChem (CID 174504769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).