1-(2-phenyl-1H-indol-3-yl)ethanone

C16H13NO — CID 613364

IUPAC1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H13NO/c1-11(18)15-13-9-5-6-10-14(13)17-16(15)12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeyRLCMKNKDDGFULL-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.04
Rot. Bonds2

About 1-(2-phenyl-1H-indol-3-yl)ethanone

1-(2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 613364) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-1H-indol-3-yl)ethanone
PubChem CID613364
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H13NO/c1-11(18)15-13-9-5-6-10-14(13)17-16(15)12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeyRLCMKNKDDGFULL-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2-phenyl-1H-indol-3-yl)ethanone (CID 613364) is 1-(2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-1H-indol-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is RLCMKNKDDGFULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(18)15-13-9-5-6-10-14(13)17-16(15)12-7-3-2-4-8-12/h2-10,17H,1H3.
What are the key properties of 1-(2-phenyl-1H-indol-3-yl)ethanone?
1-(2-phenyl-1H-indol-3-yl)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-(2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 613364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).