benzyl 2-(1H-indol-4-yl)acetate

C17H15NO2 — CID 143599585

IUPACbenzyl 2-(1H-indol-4-yl)acetate
SMILESO=C(Cc1cccc2[nH]ccc12)OCc1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(20-12-13-5-2-1-3-6-13)11-14-7-4-8-16-15(14)9-10-18-16/h1-10,18H,11-12H2
InChIKeyXHOLWENGJSBGJX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.45
Rot. Bonds4

About benzyl 2-(1H-indol-4-yl)acetate

benzyl 2-(1H-indol-4-yl)acetate (PubChem CID 143599585) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl 2-(1H-indol-4-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(1H-indol-4-yl)acetate
PubChem CID143599585
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namebenzyl 2-(1H-indol-4-yl)acetate
SMILESO=C(Cc1cccc2[nH]ccc12)OCc1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(20-12-13-5-2-1-3-6-13)11-14-7-4-8-16-15(14)9-10-18-16/h1-10,18H,11-12H2
InChIKeyXHOLWENGJSBGJX-UHFFFAOYSA-N
XLogP3.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-(1H-pyrrol-2-yl)acetate
CID 175566769
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
CID 174545200
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
(2S)-2-[[2-(1H-indol-4-yl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009152
benzyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 3084617
[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
CID 10980445
benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 44629900
benzyl (3R,4R)-3-[(4-chlorophenyl)methyl-(1H-indol-4-ylmethyl)amino]-4-hydroxypyrrolidine-1-carboxylate
CID 110076112
benzyl 2-[4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-phenylmethoxycarbonylamino]phenyl]acetate
CID 54257862

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1H-indol-4-yl)acetate?
The IUPAC name of benzyl 2-(1H-indol-4-yl)acetate (CID 143599585) is benzyl 2-(1H-indol-4-yl)acetate.
What is the SMILES notation for benzyl 2-(1H-indol-4-yl)acetate?
The canonical SMILES for benzyl 2-(1H-indol-4-yl)acetate is O=C(Cc1cccc2[nH]ccc12)OCc1ccccc1.
What is the InChIKey of benzyl 2-(1H-indol-4-yl)acetate?
The InChIKey is XHOLWENGJSBGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20-12-13-5-2-1-3-6-13)11-14-7-4-8-16-15(14)9-10-18-16/h1-10,18H,11-12H2.
What are the key properties of benzyl 2-(1H-indol-4-yl)acetate?
benzyl 2-(1H-indol-4-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1H-indol-4-yl)acetate is sourced from PubChem (CID 143599585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).