1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one

C22H23NO2 — CID 91378685

IUPAC1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1c(O)ccc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-22(2,3)21(25)23-19(13-14-20(23)24)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-14,24H,15H2,1-3H3
InChIKeyUSYBHNUTKJGMEM-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.14
Rot. Bonds3

About 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one

1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 91378685) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID91378685
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1c(O)ccc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-22(2,3)21(25)23-19(13-14-20(23)24)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-14,24H,15H2,1-3H3
InChIKeyUSYBHNUTKJGMEM-UHFFFAOYSA-N
XLogP5.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one (CID 91378685) is 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)n1c(O)ccc1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is USYBHNUTKJGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-22(2,3)21(25)23-19(13-14-20(23)24)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-14,24H,15H2,1-3H3.
What are the key properties of 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one?
1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 333.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 91378685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).