(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone

C18H17NO3 — CID 15104433

IUPAC(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C18H17NO3/c1-11-17(13-6-4-5-7-14(13)19-11)18(20)12-8-9-15(21-2)16(10-12)22-3/h4-10,19H,1-3H3
InChIKeyAAGQVVJTOKIWDQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.72
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone

(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 15104433) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID15104433
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C18H17NO3/c1-11-17(13-6-4-5-7-14(13)19-11)18(20)12-8-9-15(21-2)16(10-12)22-3/h4-10,19H,1-3H3
InChIKeyAAGQVVJTOKIWDQ-UHFFFAOYSA-N
XLogP3.72
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
CID 26784395
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416232
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 16516112
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902864
2-(3-methoxy-4-methylbenzoyl)-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CID 60584722
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534992
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534994

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone (CID 15104433) is (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone is COc1ccc(C(=O)c2c(C)[nH]c3ccccc23)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is AAGQVVJTOKIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-17(13-6-4-5-7-14(13)19-11)18(20)12-8-9-15(21-2)16(10-12)22-3/h4-10,19H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone?
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 15104433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).