(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone

C24H19NO2 — CID 71359477

IUPAC(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2ccc(-c3ccccc3)n2-c2ccccc2)c1
InChIInChI=1S/C24H19NO2/c1-17-12-15-23(26)20(16-17)24(27)22-14-13-21(18-8-4-2-5-9-18)25(22)19-10-6-3-7-11-19/h2-16,26H,1H3
InChIKeyMTHYBKFPWLOIRQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.39
Rot. Bonds4

About (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone

(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 71359477) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone
PubChem CID71359477
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2ccc(-c3ccccc3)n2-c2ccccc2)c1
InChIInChI=1S/C24H19NO2/c1-17-12-15-23(26)20(16-17)24(27)22-14-13-21(18-8-4-2-5-9-18)25(22)19-10-6-3-7-11-19/h2-16,26H,1H3
InChIKeyMTHYBKFPWLOIRQ-UHFFFAOYSA-N
XLogP5.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4792865
4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
CID 143547610
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
1,2-bis(4-methylphenyl)-5-[4-[(E)-2-phenylethenyl]phenyl]pyrrole;(E)-but-2-ene
CID 160992457
3-[(3R)-1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95222667
3-[1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56719208

Frequently Asked Questions

What is the IUPAC name of (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone (CID 71359477) is (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2ccc(-c3ccccc3)n2-c2ccccc2)c1.
What is the InChIKey of (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is MTHYBKFPWLOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-17-12-15-23(26)20(16-17)24(27)22-14-13-21(18-8-4-2-5-9-18)25(22)19-10-6-3-7-11-19/h2-16,26H,1H3.
What are the key properties of (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone?
(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 353.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 71359477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).