4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid

C23H19NO2 — CID 15487485

IUPAC4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
SMILESCCc1cccc2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12
InChIInChI=1S/C23H19NO2/c1-2-15-4-3-5-16-6-11-19(14-20(15)16)22-13-12-21(24-22)17-7-9-18(10-8-17)23(25)26/h3-14,24H,2H2,1H3,(H,25,26)
InChIKeyJEZZZXMRMMKBKN-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.76
Rot. Bonds4

About 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid

4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid (PubChem CID 15487485) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
PubChem CID15487485
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
SMILESCCc1cccc2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12
InChIInChI=1S/C23H19NO2/c1-2-15-4-3-5-16-6-11-19(14-20(15)16)22-13-12-21(24-22)17-7-9-18(10-8-17)23(25)26/h3-14,24H,2H2,1H3,(H,25,26)
InChIKeyJEZZZXMRMMKBKN-UHFFFAOYSA-N
XLogP5.76
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-(8-propan-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 15487486
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
4-[5-(7-methoxy-8-methylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 15487482
4-[5-(4,7-diethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 18709713
4-[5-(4-tert-butylphenyl)-1H-pyrrol-2-yl]benzoic acid
CID 170555585
4-[5-[7-(2-methoxyethyl)-1-benzofuran-2-yl]-1H-pyrrol-2-yl]benzoic acid
CID 18709775
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
1-ethyl-7-methylnaphthalene
CID 12778771
4-[5-(7-chloro-5-ethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 18709786
4-naphthalen-1-ylbenzoic acid
CID 2760151
8-aminonaphthalene-2-carboxylic acid
CID 13440887

Frequently Asked Questions

What is the IUPAC name of 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid (CID 15487485) is 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid is CCc1cccc2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12.
What is the InChIKey of 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid?
The InChIKey is JEZZZXMRMMKBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-2-15-4-3-5-16-6-11-19(14-20(15)16)22-13-12-21(24-22)17-7-9-18(10-8-17)23(25)26/h3-14,24H,2H2,1H3,(H,25,26).
What are the key properties of 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid?
4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid is sourced from PubChem (CID 15487485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).