1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde

C19H19NO2 — CID 141036872

IUPAC1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde
SMILESCc1cc(C=O)cc(C)c1N1c2ccc(C=O)cc2CC1C
InChIInChI=1S/C19H19NO2/c1-12-6-16(11-22)7-13(2)19(12)20-14(3)8-17-9-15(10-21)4-5-18(17)20/h4-7,9-11,14H,8H2,1-3H3
InChIKeyQIHNCHFHTKBUNQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde

1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde (PubChem CID 141036872) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde.

Molecular Properties

Compound Name1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde
PubChem CID141036872
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde
SMILESCc1cc(C=O)cc(C)c1N1c2ccc(C=O)cc2CC1C
InChIInChI=1S/C19H19NO2/c1-12-6-16(11-22)7-13(2)19(12)20-14(3)8-17-9-15(10-21)4-5-18(17)20/h4-7,9-11,14H,8H2,1-3H3
InChIKeyQIHNCHFHTKBUNQ-UHFFFAOYSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde?
The IUPAC name of 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde (CID 141036872) is 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde.
What is the SMILES notation for 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde?
The canonical SMILES for 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde is Cc1cc(C=O)cc(C)c1N1c2ccc(C=O)cc2CC1C.
What is the InChIKey of 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde?
The InChIKey is QIHNCHFHTKBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-6-16(11-22)7-13(2)19(12)20-14(3)8-17-9-15(10-21)4-5-18(17)20/h4-7,9-11,14H,8H2,1-3H3.
What are the key properties of 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde?
1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde has a molecular weight of 293.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde is sourced from PubChem (CID 141036872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).