5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde

C18H17NO — CID 3776362

IUPAC5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1cc(C)c2[nH]c(-c3ccccc3C)c(C=O)c2c1
InChIInChI=1S/C18H17NO/c1-11-8-13(3)17-15(9-11)16(10-20)18(19-17)14-7-5-4-6-12(14)2/h4-10,19H,1-3H3
InChIKeyVYZPORYALLVDDR-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.57
Rot. Bonds2

About 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde

5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3776362) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
PubChem CID3776362
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1cc(C)c2[nH]c(-c3ccccc3C)c(C=O)c2c1
InChIInChI=1S/C18H17NO/c1-11-8-13(3)17-15(9-11)16(10-20)18(19-17)14-7-5-4-6-12(14)2/h4-10,19H,1-3H3
InChIKeyVYZPORYALLVDDR-UHFFFAOYSA-N
XLogP4.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde (CID 3776362) is 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde is Cc1cc(C)c2[nH]c(-c3ccccc3C)c(C=O)c2c1.
What is the InChIKey of 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is VYZPORYALLVDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-8-13(3)17-15(9-11)16(10-20)18(19-17)14-7-5-4-6-12(14)2/h4-10,19H,1-3H3.
What are the key properties of 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde?
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3776362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).