(1-benzylindol-3-yl) acetate

C17H15NO2 — CID 66524635

IUPAC(1-benzylindol-3-yl) acetate
SMILESCC(=O)Oc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2/c1-13(19)20-17-12-18(11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17/h2-10,12H,11H2,1H3
InChIKeyTWRMEZLJZRTHNK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.61
Rot. Bonds3

About (1-benzylindol-3-yl) acetate

(1-benzylindol-3-yl) acetate (PubChem CID 66524635) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (1-benzylindol-3-yl) acetate.

Molecular Properties

Compound Name(1-benzylindol-3-yl) acetate
PubChem CID66524635
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(1-benzylindol-3-yl) acetate
SMILESCC(=O)Oc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2/c1-13(19)20-17-12-18(11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17/h2-10,12H,11H2,1H3
InChIKeyTWRMEZLJZRTHNK-UHFFFAOYSA-N
XLogP3.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl) acetate?
The IUPAC name of (1-benzylindol-3-yl) acetate (CID 66524635) is (1-benzylindol-3-yl) acetate.
What is the SMILES notation for (1-benzylindol-3-yl) acetate?
The canonical SMILES for (1-benzylindol-3-yl) acetate is CC(=O)Oc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1-benzylindol-3-yl) acetate?
The InChIKey is TWRMEZLJZRTHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-13(19)20-17-12-18(11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17/h2-10,12H,11H2,1H3.
What are the key properties of (1-benzylindol-3-yl) acetate?
(1-benzylindol-3-yl) acetate has a molecular weight of 265.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl) acetate is sourced from PubChem (CID 66524635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).