4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde

C12H13NO2 — CID 105455213

IUPAC4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc(C)c2[nH]c(C=O)c(C)c12
InChIInChI=1S/C12H13NO2/c1-7-4-5-10(15-3)11-8(2)9(6-14)13-12(7)11/h4-6,13H,1-3H3
InChIKeyZVUKTOQVIXDHFX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.61
Rot. Bonds2

About 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde

4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde (PubChem CID 105455213) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
PubChem CID105455213
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc(C)c2[nH]c(C=O)c(C)c12
InChIInChI=1S/C12H13NO2/c1-7-4-5-10(15-3)11-8(2)9(6-14)13-12(7)11/h4-6,13H,1-3H3
InChIKeyZVUKTOQVIXDHFX-UHFFFAOYSA-N
XLogP2.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 105443504
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
CID 10704674
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
2-formyl-6-methoxy-3-methylbenzoyl chloride
CID 171022028
1,4,5,8-tetramethoxynaphthalene
CID 10220551
4-methoxy-7-methyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 168946965
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde?
The IUPAC name of 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde (CID 105455213) is 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde is COc1ccc(C)c2[nH]c(C=O)c(C)c12.
What is the InChIKey of 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde?
The InChIKey is ZVUKTOQVIXDHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-4-5-10(15-3)11-8(2)9(6-14)13-12(7)11/h4-6,13H,1-3H3.
What are the key properties of 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde?
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 105455213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).