1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone

C18H15NO2 — CID 44718395

IUPAC1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)cn(-c2ccccc2)c1O
InChIInChI=1S/C18H15NO2/c1-13(20)17-16(14-8-4-2-5-9-14)12-19(18(17)21)15-10-6-3-7-11-15/h2-12,21H,1H3
InChIKeyLBLSCHICAOVNOL-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone

1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone (PubChem CID 44718395) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone
PubChem CID44718395
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)cn(-c2ccccc2)c1O
InChIInChI=1S/C18H15NO2/c1-13(20)17-16(14-8-4-2-5-9-14)12-19(18(17)21)15-10-6-3-7-11-15/h2-12,21H,1H3
InChIKeyLBLSCHICAOVNOL-UHFFFAOYSA-N
XLogP4.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
(2-methylsulfanyl-1,4-diphenylpyrrol-3-yl)-phenylmethanone
CID 102140254
1-(2,3-dihydroxy-6-phenylphenyl)ethanone
CID 173305847
acetic acid;1,1'-biphenyl;zinc
CID 70522083
3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
CID 54687627
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol
CID 90687245
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1-(1-methyl-3-phenylindol-6-yl)ethanone
CID 59626112
acetic acid;1,1'-biphenyl;ethane
CID 91464981
8-acetyl-7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82381359

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone (CID 44718395) is 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)cn(-c2ccccc2)c1O.
What is the InChIKey of 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone?
The InChIKey is LBLSCHICAOVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13(20)17-16(14-8-4-2-5-9-14)12-19(18(17)21)15-10-6-3-7-11-15/h2-12,21H,1H3.
What are the key properties of 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone?
1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone has a molecular weight of 277.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone is sourced from PubChem (CID 44718395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).