1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone

C24H19NO2 — CID 163595290

IUPAC1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1=NC(c2cccc(Oc3ccccc3)c2)=CC1
InChIInChI=1S/C24H19NO2/c26-24(16-18-8-3-1-4-9-18)23-15-14-22(25-23)19-10-7-13-21(17-19)27-20-11-5-2-6-12-20/h1-14,17H,15-16H2
InChIKeyWMEOCBHZBFBZQG-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.48
Rot. Bonds6

About 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone

1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone (PubChem CID 163595290) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone
PubChem CID163595290
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1=NC(c2cccc(Oc3ccccc3)c2)=CC1
InChIInChI=1S/C24H19NO2/c26-24(16-18-8-3-1-4-9-18)23-15-14-22(25-23)19-10-7-13-21(17-19)27-20-11-5-2-6-12-20/h1-14,17H,15-16H2
InChIKeyWMEOCBHZBFBZQG-UHFFFAOYSA-N
XLogP5.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dihydro-2-benzofuran-5-yl)-1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]ethanone;1-methyl-5-[2-oxo-2-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]ethyl]pyridin-2-one
CID 163722718
CID 174876749
CID 174876749
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethyl]pyridin-2-one
CID 163940144
(3-phenoxyphenyl)methylphosphane
CID 70930904
2-(1,3-dihydro-2-benzofuran-5-yl)-1-[2-(3-phenoxyphenyl)-1H-imidazol-5-yl]ethanone
CID 163940147
1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one
CID 163940142
3-[2-(3-phenoxyphenyl)acetyl]benzonitrile
CID 2824051
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone (CID 163595290) is 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)C1=NC(c2cccc(Oc3ccccc3)c2)=CC1.
What is the InChIKey of 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone?
The InChIKey is WMEOCBHZBFBZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c26-24(16-18-8-3-1-4-9-18)23-15-14-22(25-23)19-10-7-13-21(17-19)27-20-11-5-2-6-12-20/h1-14,17H,15-16H2.
What are the key properties of 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone?
1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone has a molecular weight of 353.42 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-phenoxyphenyl)-3H-pyrrol-2-yl]-2-phenylethanone is sourced from PubChem (CID 163595290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).