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

C23H19NO — CID 50901499

IUPAC(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
SMILESO=C(C[C@@H](c1ccccc1)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C23H19NO/c25-23(18-11-5-2-6-12-18)16-20(17-9-3-1-4-10-17)22-15-19-13-7-8-14-21(19)24-22/h1-15,20,24H,16H2/t20-/m0/s1
InChIKeyBOTGYLJUNVCLIT-FQEVSTJZSA-N
MW325.41 g/mol
LogP5.57
Rot. Bonds5

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

(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one (PubChem CID 50901499) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
PubChem CID50901499
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
SMILESO=C(C[C@@H](c1ccccc1)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C23H19NO/c25-23(18-11-5-2-6-12-18)16-20(17-9-3-1-4-10-17)22-15-19-13-7-8-14-21(19)24-22/h1-15,20,24H,16H2/t20-/m0/s1
InChIKeyBOTGYLJUNVCLIT-FQEVSTJZSA-N
XLogP5.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
CID 102472553
methyl (3S)-3-(1H-indol-2-yl)-3-phenylpropanoate
CID 102574001
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(3-(1H-indol-2-yl)-3-phenylpropanoic acid)
CID 162247265
(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531736
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
methyl (2S,3R)-3-(1H-indol-2-yl)-2-nitro-3-phenylpropanoate
CID 2207835
(3S)-3-(4-chlorophenyl)-3-(1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 102573995
(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 101252964
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
2-(1H-indol-2-yl)-3-methylpentanoic acid
CID 146350341
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one (CID 50901499) is (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one is O=C(C[C@@H](c1ccccc1)c1cc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one?
The InChIKey is BOTGYLJUNVCLIT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19NO/c25-23(18-11-5-2-6-12-18)16-20(17-9-3-1-4-10-17)22-15-19-13-7-8-14-21(19)24-22/h1-15,20,24H,16H2/t20-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one?
(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one has a molecular weight of 325.41 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 50901499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).