[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone

C19H17NO2 — CID 71083233

IUPAC[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccn2Cc2ccccc2O)cc1
InChIInChI=1S/C19H17NO2/c1-14-8-10-15(11-9-14)19(22)17-6-4-12-20(17)13-16-5-2-3-7-18(16)21/h2-12,21H,13H2,1H3
InChIKeyLYYHFYZYXQWSJW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.78
Rot. Bonds4

About [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone

[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone (PubChem CID 71083233) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
PubChem CID71083233
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccn2Cc2ccccc2O)cc1
InChIInChI=1S/C19H17NO2/c1-14-8-10-15(11-9-14)19(22)17-6-4-12-20(17)13-16-5-2-3-7-18(16)21/h2-12,21H,13H2,1H3
InChIKeyLYYHFYZYXQWSJW-UHFFFAOYSA-N
XLogP3.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)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-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
CID 177375481
[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 59430754
3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-4-carboxamide
CID 20740458
(1-ethylpyrrol-2-yl)-phenylmethanone
CID 23048985
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
[1-[(E)-3-(4-chloro-3-hydroxyphenyl)prop-2-enyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 89258991
2-[2-(4-methylbenzoyl)pyrrol-1-yl]propanoic acid
CID 69276476
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740481
1-[1-[[2-(chloromethyl)phenyl]methyl]pyrrol-2-yl]ethanone
CID 14612751
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
[1-[(7-isocyanoquinoxalin-2-yl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 20740424

Frequently Asked Questions

What is the IUPAC name of [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone (CID 71083233) is [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cccn2Cc2ccccc2O)cc1.
What is the InChIKey of [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is LYYHFYZYXQWSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14-8-10-15(11-9-14)19(22)17-6-4-12-20(17)13-16-5-2-3-7-18(16)21/h2-12,21H,13H2,1H3.
What are the key properties of [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 291.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 71083233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).