1-(4-phenylmethoxy-1H-indol-3-yl)ethanone

C17H15NO2 — CID 158905078

IUPAC1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C17H15NO2/c1-12(19)14-10-18-15-8-5-9-16(17(14)15)20-11-13-6-3-2-4-7-13/h2-10,18H,11H2,1H3
InChIKeyJFYDCVRLRXCYMB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone

1-(4-phenylmethoxy-1H-indol-3-yl)ethanone (PubChem CID 158905078) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
PubChem CID158905078
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C17H15NO2/c1-12(19)14-10-18-15-8-5-9-16(17(14)15)20-11-13-6-3-2-4-7-13/h2-10,18H,11H2,1H3
InChIKeyJFYDCVRLRXCYMB-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404
1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone
CID 67641963
4-phenylmethoxy-1H-indole-3-carbonitrile
CID 12798006
1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
CID 83918329
[(2S)-2-(4-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 156821019
2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride
CID 168946883
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone (CID 158905078) is 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone?
The InChIKey is JFYDCVRLRXCYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)14-10-18-15-8-5-9-16(17(14)15)20-11-13-6-3-2-4-7-13/h2-10,18H,11H2,1H3.
What are the key properties of 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone?
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 158905078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).