[(1R)-1-phenylethyl] 1H-indole-3-carboxylate

C17H15NO2 — CID 8607675

IUPAC[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
SMILESC[C@@H](OC(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)20-17(19)15-11-18-16-10-6-5-9-14(15)16/h2-12,18H,1H3/t12-/m1/s1
InChIKeyHQHKIXJESSTLOR-GFCCVEGCSA-N
MW265.31 g/mol
LogP4.09
Rot. Bonds3

About [(1R)-1-phenylethyl] 1H-indole-3-carboxylate

[(1R)-1-phenylethyl] 1H-indole-3-carboxylate (PubChem CID 8607675) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
PubChem CID8607675
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
SMILESC[C@@H](OC(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)20-17(19)15-11-18-16-10-6-5-9-14(15)16/h2-12,18H,1H3/t12-/m1/s1
InChIKeyHQHKIXJESSTLOR-GFCCVEGCSA-N
XLogP4.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-cyanoethyl] 1H-indole-3-carboxylate
CID 7889014
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
undecan-5-yl 1H-indole-3-carboxylate
CID 151684250
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7889015
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7517605
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9066538
1-phenylethyl 2-methyl-1H-indole-3-carboxylate
CID 142169853
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 1H-indole-3-carboxylate
CID 7492999
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate
CID 8606926
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 1H-indole-3-carboxylate?
The IUPAC name of [(1R)-1-phenylethyl] 1H-indole-3-carboxylate (CID 8607675) is [(1R)-1-phenylethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [(1R)-1-phenylethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [(1R)-1-phenylethyl] 1H-indole-3-carboxylate is C[C@@H](OC(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 1H-indole-3-carboxylate?
The InChIKey is HQHKIXJESSTLOR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(13-7-3-2-4-8-13)20-17(19)15-11-18-16-10-6-5-9-14(15)16/h2-12,18H,1H3/t12-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 1H-indole-3-carboxylate?
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 8607675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).