(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one

C24H21NO — CID 101252964

IUPAC(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
SMILESCc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO/c1-17-24(20-14-8-9-15-22(20)25-17)21(18-10-4-2-5-11-18)16-23(26)19-12-6-3-7-13-19/h2-15,21,25H,16H2,1H3/t21-/m1/s1
InChIKeyGLCFQWOPHHPMNP-OAQYLSRUSA-N
MW339.44 g/mol
LogP5.88
Rot. Bonds5

About (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one

(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one (PubChem CID 101252964) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
PubChem CID101252964
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
SMILESCc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO/c1-17-24(20-14-8-9-15-22(20)25-17)21(18-10-4-2-5-11-18)16-23(26)19-12-6-3-7-13-19/h2-15,21,25H,16H2,1H3/t21-/m1/s1
InChIKeyGLCFQWOPHHPMNP-OAQYLSRUSA-N
XLogP5.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
CID 11611112
(2R)-2-(2-methyl-1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 7248245
2-(2-methyl-1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 2988001
(3R)-3-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 101252974
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951
(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
CID 50901499
(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
CID 102355251
4-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]benzoic acid
CID 110453404
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)hexanoic acid
CID 140944818
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
4-(2-methyl-1H-indol-3-yl)octan-2-one
CID 102114646

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one (CID 101252964) is (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one is Cc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
The InChIKey is GLCFQWOPHHPMNP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21NO/c1-17-24(20-14-8-9-15-22(20)25-17)21(18-10-4-2-5-11-18)16-23(26)19-12-6-3-7-13-19/h2-15,21,25H,16H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 101252964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).