2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde

C18H17NO2 — CID 3450774

IUPAC2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3cc(C)cc(C)c3c2C=O)cc1
InChIInChI=1S/C18H17NO2/c1-11-8-12(2)17-15(10-20)18(19-16(17)9-11)13-4-6-14(21-3)7-5-13/h4-10,19H,1-3H3
InChIKeyFGWQLSJXMJKWMJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.27
Rot. Bonds3

About 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde

2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde (PubChem CID 3450774) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
PubChem CID3450774
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3cc(C)cc(C)c3c2C=O)cc1
InChIInChI=1S/C18H17NO2/c1-11-8-12(2)17-15(10-20)18(19-16(17)9-11)13-4-6-14(21-3)7-5-13/h4-10,19H,1-3H3
InChIKeyFGWQLSJXMJKWMJ-UHFFFAOYSA-N
XLogP4.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.27
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

2-(3-chloro-4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
CID 3817524
4,6-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde
CID 3730132
5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
CID 10830916
2-(4-methoxyphenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 4595555
4,6-dimethyl-2-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 84629957
2-(4-chlorophenyl)-4-methyl-1H-indole-3-carbaldehyde
CID 59060734
7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5225215
ethyl 3-formyl-4,6-dimethyl-1H-indole-2-carboxylate
CID 3301707
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
2-(4-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3830645

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde (CID 3450774) is 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde is COc1ccc(-c2[nH]c3cc(C)cc(C)c3c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde?
The InChIKey is FGWQLSJXMJKWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11-8-12(2)17-15(10-20)18(19-16(17)9-11)13-4-6-14(21-3)7-5-13/h4-10,19H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde?
2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde has a molecular weight of 279.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3450774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).