3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one

C24H21NO2 — CID 102170720

IUPAC3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1cccc(C(CC(=O)c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H21NO2/c1-27-19-11-7-10-18(14-19)21(15-24(26)17-8-3-2-4-9-17)22-16-25-23-13-6-5-12-20(22)23/h2-14,16,21,25H,15H2,1H3
InChIKeyZZBAWDQFYJFNEH-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.58
Rot. Bonds6

About 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one

3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one (PubChem CID 102170720) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
PubChem CID102170720
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1cccc(C(CC(=O)c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H21NO2/c1-27-19-11-7-10-18(14-19)21(15-24(26)17-8-3-2-4-9-17)22-16-25-23-13-6-5-12-20(22)23/h2-14,16,21,25H,15H2,1H3
InChIKeyZZBAWDQFYJFNEH-UHFFFAOYSA-N
XLogP5.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 24851301
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
3-[benzenesulfonyl-(3-methoxyphenyl)methyl]-1H-indole
CID 134850362
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one (CID 102170720) is 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one is COc1cccc(C(CC(=O)c2ccccc2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is ZZBAWDQFYJFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-19-11-7-10-18(14-19)21(15-24(26)17-8-3-2-4-9-17)22-16-25-23-13-6-5-12-20(22)23/h2-14,16,21,25H,15H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 355.44 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 102170720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).