1-[4-(1H-indol-5-yl)phenyl]ethanone

C16H13NO — CID 82039796

IUPAC1-[4-(1H-indol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C16H13NO/c1-11(18)12-2-4-13(5-3-12)14-6-7-16-15(10-14)8-9-17-16/h2-10,17H,1H3
InChIKeyHFIJTRCKXMUTEO-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.04
Rot. Bonds2

About 1-[4-(1H-indol-5-yl)phenyl]ethanone

1-[4-(1H-indol-5-yl)phenyl]ethanone (PubChem CID 82039796) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-(1H-indol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-indol-5-yl)phenyl]ethanone
PubChem CID82039796
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-[4-(1H-indol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C16H13NO/c1-11(18)12-2-4-13(5-3-12)14-6-7-16-15(10-14)8-9-17-16/h2-10,17H,1H3
InChIKeyHFIJTRCKXMUTEO-UHFFFAOYSA-N
XLogP4.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone
CID 130459975
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
tert-butyl formate;1-(1H-indol-5-yl)ethanone
CID 174513916
N-[4-(1H-indol-5-yl)phenyl]propanamide
CID 123570730
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-4-(1H-indol-5-yl)-N-methylbenzamide
CID 147186852
1-(6-methyl-1H-indol-5-yl)ethanone
CID 58835531
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
5-(1H-indol-5-yl)-2,3,4-trimethoxybenzoic acid
CID 155912985
4-(4-hydroxyphenyl)-3-(1H-indol-5-yl)pent-3-en-2-one
CID 123719151
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1H-indol-5-yl)phenyl]ethanone (CID 82039796) is 1-[4-(1H-indol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1H-indol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1H-indol-5-yl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 1-[4-(1H-indol-5-yl)phenyl]ethanone?
The InChIKey is HFIJTRCKXMUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(18)12-2-4-13(5-3-12)14-6-7-16-15(10-14)8-9-17-16/h2-10,17H,1H3.
What are the key properties of 1-[4-(1H-indol-5-yl)phenyl]ethanone?
1-[4-(1H-indol-5-yl)phenyl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-5-yl)phenyl]ethanone is sourced from PubChem (CID 82039796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).