1-(1,3-dimethylindol-2-yl)-2-phenylethanone

C18H17NO — CID 711529

IUPAC1-(1,3-dimethylindol-2-yl)-2-phenylethanone
SMILESCc1c(C(=O)Cc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H17NO/c1-13-15-10-6-7-11-16(15)19(2)18(13)17(20)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyOQPHBCURCPWQFV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.91
Rot. Bonds3

About 1-(1,3-dimethylindol-2-yl)-2-phenylethanone

1-(1,3-dimethylindol-2-yl)-2-phenylethanone (PubChem CID 711529) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1,3-dimethylindol-2-yl)-2-phenylethanone
PubChem CID711529
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(1,3-dimethylindol-2-yl)-2-phenylethanone
SMILESCc1c(C(=O)Cc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H17NO/c1-13-15-10-6-7-11-16(15)19(2)18(13)17(20)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeyOQPHBCURCPWQFV-UHFFFAOYSA-N
XLogP3.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(1,3-dimethylindol-2-yl)-2-phenylethanone (CID 711529) is 1-(1,3-dimethylindol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1,3-dimethylindol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(1,3-dimethylindol-2-yl)-2-phenylethanone is Cc1c(C(=O)Cc2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 1-(1,3-dimethylindol-2-yl)-2-phenylethanone?
The InChIKey is OQPHBCURCPWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13-15-10-6-7-11-16(15)19(2)18(13)17(20)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3.
What are the key properties of 1-(1,3-dimethylindol-2-yl)-2-phenylethanone?
1-(1,3-dimethylindol-2-yl)-2-phenylethanone has a molecular weight of 263.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-2-yl)-2-phenylethanone is sourced from PubChem (CID 711529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).