2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid

C19H15NO3 — CID 11088061

IUPAC2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO3/c21-18(22)13-20-11-10-17(12-20)19(23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22)
InChIKeyWPNZSINOTOQKAF-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.47
Rot. Bonds5

About 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid

2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid (PubChem CID 11088061) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid
PubChem CID11088061
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO3/c21-18(22)13-20-11-10-17(12-20)19(23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22)
InChIKeyWPNZSINOTOQKAF-UHFFFAOYSA-N
XLogP3.47
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Naphthalenyl(1-pentyl-1H-pyrrol-3-yl)methanone
CID 9971539
2-(3-formyl-1H-indol-1-yl)acetic acid
CID 771465
[3-(2-Fluoro-benzoyl)-indol-1-yl]-acetic acid methyl ester
CID 1095466
[3-(2-Fluoro-benzoyl)-indol-1-yl]-acetic acid
CID 1095469
(2-benzoyl-1H-pyrrol-1-yl)acetic acid
CID 3239785
(2E)-1-([1,1'-Biphenyl]-4-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 24233261
[3-(trifluoroacetyl)-1H-indol-1-yl]acetic acid
CID 3154371
1-[2-(4-Methylphenyl)-2-oxoethyl]pyridin-1-ium iodide
CID 13552280
1-(2-Biphenyl-4-yl-1-methyl-2-oxo-ethyl)-pyridinium
CID 2847319
2-(3-benzoyl-1H-pyrrol-1-yl)acetic acid
CID 10398922
3-(3-Benzoyl-1H-pyrrol-1-yl)propanoic acid
CID 46229306
4-(3-Benzoyl-1H-pyrrol-1-yl)butanoic acid
CID 46229307

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid (CID 11088061) is 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid?
The InChIKey is WPNZSINOTOQKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(22)13-20-11-10-17(12-20)19(23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22).
What are the key properties of 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid?
2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylbenzoyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 11088061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).