ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate

C25H23NO3 — CID 10620117

IUPACethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate
SMILESCCOC(=O)Cc1cc2cccc(OC(c3ccccc3)c3ccccc3)c2[nH]1
InChIInChI=1S/C25H23NO3/c1-2-28-23(27)17-21-16-20-14-9-15-22(24(20)26-21)29-25(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16,25-26H,2,17H2,1H3
InChIKeyXCIIHTISVVQEMK-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.44
Rot. Bonds7

About ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate

ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate (PubChem CID 10620117) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate
PubChem CID10620117
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Nameethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate
SMILESCCOC(=O)Cc1cc2cccc(OC(c3ccccc3)c3ccccc3)c2[nH]1
InChIInChI=1S/C25H23NO3/c1-2-28-23(27)17-21-16-20-14-9-15-22(24(20)26-21)29-25(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16,25-26H,2,17H2,1H3
InChIKeyXCIIHTISVVQEMK-UHFFFAOYSA-N
XLogP5.44
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[[2-(7-phenylmethoxy-1H-indol-2-yl)acetyl]amino]propanedioate
CID 154727047
ethyl 2-benzhydryloxynaphthalene-1-carboxylate
CID 134961368
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 2-phenylacetate
CID 7590
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133093261
ethyl 2-(8-methoxy-2-methylquinolin-3-yl)acetate
CID 171788302
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate?
The IUPAC name of ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate (CID 10620117) is ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate?
The canonical SMILES for ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate is CCOC(=O)Cc1cc2cccc(OC(c3ccccc3)c3ccccc3)c2[nH]1.
What is the InChIKey of ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate?
The InChIKey is XCIIHTISVVQEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-28-23(27)17-21-16-20-14-9-15-22(24(20)26-21)29-25(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16,25-26H,2,17H2,1H3.
What are the key properties of ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate?
ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate has a molecular weight of 385.46 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-benzhydryloxy-1H-indol-2-yl)acetate is sourced from PubChem (CID 10620117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).