(4-methoxyphenyl)-(1-methylindol-3-yl)methanone

C17H15NO2 — CID 3062676

IUPAC(4-methoxyphenyl)-(1-methylindol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C17H15NO2/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3
InChIKeyKTTKHPWYMHHUNK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.42
Rot. Bonds3

About (4-methoxyphenyl)-(1-methylindol-3-yl)methanone

(4-methoxyphenyl)-(1-methylindol-3-yl)methanone (PubChem CID 3062676) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-methylindol-3-yl)methanone
PubChem CID3062676
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(4-methoxyphenyl)-(1-methylindol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C17H15NO2/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3
InChIKeyKTTKHPWYMHHUNK-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-methylindol-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1-methylindol-3-yl)methanone (CID 3062676) is (4-methoxyphenyl)-(1-methylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1-methylindol-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1-methylindol-3-yl)methanone is COc1ccc(C(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1-methylindol-3-yl)methanone?
The InChIKey is KTTKHPWYMHHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(1-methylindol-3-yl)methanone?
(4-methoxyphenyl)-(1-methylindol-3-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 3062676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).