4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid

C24H25NO2 — CID 59214556

IUPAC4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1
InChIInChI=1S/C24H25NO2/c26-24(27)12-6-7-18-13-15-21(16-14-18)25-22-11-5-4-10-20(22)17-23(25)19-8-2-1-3-9-19/h1-3,8-9,13-17H,4-7,10-12H2,(H,26,27)
InChIKeyJLILJFVSUUCQBE-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.43
Rot. Bonds6

About 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid

4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid (PubChem CID 59214556) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
PubChem CID59214556
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1
InChIInChI=1S/C24H25NO2/c26-24(27)12-6-7-18-13-15-21(16-14-18)25-22-11-5-4-10-20(22)17-23(25)19-8-2-1-3-9-19/h1-3,8-9,13-17H,4-7,10-12H2,(H,26,27)
InChIKeyJLILJFVSUUCQBE-UHFFFAOYSA-N
XLogP5.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20886155
4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 22521987
N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
CID 59214570
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
CID 20886158
2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
CID 134097284
N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 22521989
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985
(4-methylpiperidin-1-yl)-[4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)phenyl]methanone
CID 46272451
ethane;formic acid;6-methyl-2-phenyl-1-(4-propylphenyl)-4,5,6,7-tetrahydroindole
CID 143214591
4-[4-[5-cyclohexyl-2-(2,2-dimethylpropyl)-3-phenylpyrrol-1-yl]phenyl]butanoic acid
CID 143433071

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid (CID 59214556) is 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid is O=C(O)CCCc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1.
What is the InChIKey of 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid?
The InChIKey is JLILJFVSUUCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-24(27)12-6-7-18-13-15-21(16-14-18)25-22-11-5-4-10-20(22)17-23(25)19-8-2-1-3-9-19/h1-3,8-9,13-17H,4-7,10-12H2,(H,26,27).
What are the key properties of 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid?
4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid has a molecular weight of 359.47 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 59214556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).