benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate

C30H25NO2 — CID 122384593

IUPACbenzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate
SMILESCc1c([C@H](C(=O)OCc2ccccc2)c2ccccc2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H25NO2/c1-22-28(26-19-11-12-20-27(26)31(22)25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)30(32)33-21-23-13-5-2-6-14-23/h2-20,29H,21H2,1H3/t29-/m1/s1
InChIKeyNFNLWBNRHYMBFO-GDLZYMKVSA-N
MW431.54 g/mol
LogP6.81
Rot. Bonds6

About benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate

benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate (PubChem CID 122384593) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate.

Molecular Properties

Compound Namebenzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate
PubChem CID122384593
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Namebenzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate
SMILESCc1c([C@H](C(=O)OCc2ccccc2)c2ccccc2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H25NO2/c1-22-28(26-19-11-12-20-27(26)31(22)25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)30(32)33-21-23-13-5-2-6-14-23/h2-20,29H,21H2,1H3/t29-/m1/s1
InChIKeyNFNLWBNRHYMBFO-GDLZYMKVSA-N
XLogP6.81
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,2-bis(4-hydroxyphenyl)acetate;phenol
CID 160633420
methyl (2R,3R)-3-(1,2-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate
CID 14152083
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate
CID 66674674
benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 883420
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)acetate
CID 175327840
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
dibenzyl 1,4-dimethyl-3-oxo-2-phenyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 72712652
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate?
The IUPAC name of benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate (CID 122384593) is benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate.
What is the SMILES notation for benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate?
The canonical SMILES for benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate is Cc1c([C@H](C(=O)OCc2ccccc2)c2ccccc2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate?
The InChIKey is NFNLWBNRHYMBFO-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H25NO2/c1-22-28(26-19-11-12-20-27(26)31(22)25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)30(32)33-21-23-13-5-2-6-14-23/h2-20,29H,21H2,1H3/t29-/m1/s1.
What are the key properties of benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate?
benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate has a molecular weight of 431.54 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(2-methyl-1-phenylindol-3-yl)-2-phenylacetate is sourced from PubChem (CID 122384593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).