1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone

C17H15NO2 — CID 43339248

IUPAC1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3ccccc23)ccc1C
InChIInChI=1S/C17H15NO2/c1-11-7-8-12(9-16(11)20-2)17(19)14-10-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3
InChIKeyGMTDEQDENPNOSX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.72
Rot. Bonds3

About 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone

1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone (PubChem CID 43339248) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
PubChem CID43339248
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3ccccc23)ccc1C
InChIInChI=1S/C17H15NO2/c1-11-7-8-12(9-16(11)20-2)17(19)14-10-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3
InChIKeyGMTDEQDENPNOSX-UHFFFAOYSA-N
XLogP3.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
CID 139497293
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 55325807
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone (CID 43339248) is 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2c[nH]c3ccccc23)ccc1C.
What is the InChIKey of 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is GMTDEQDENPNOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-12(9-16(11)20-2)17(19)14-10-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3.
What are the key properties of 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone?
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 265.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 43339248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).