1-[(3-methylphenyl)methyl]indole-6-carbaldehyde

C17H15NO — CID 17221168

IUPAC1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
SMILESCc1cccc(Cn2ccc3ccc(C=O)cc32)c1
InChIInChI=1S/C17H15NO/c1-13-3-2-4-14(9-13)11-18-8-7-16-6-5-15(12-19)10-17(16)18/h2-10,12H,11H2,1H3
InChIKeyLIZWSZQTDAHUOV-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.81
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde

1-[(3-methylphenyl)methyl]indole-6-carbaldehyde (PubChem CID 17221168) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
PubChem CID17221168
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
SMILESCc1cccc(Cn2ccc3ccc(C=O)cc32)c1
InChIInChI=1S/C17H15NO/c1-13-3-2-4-14(9-13)11-18-8-7-16-6-5-15(12-19)10-17(16)18/h2-10,12H,11H2,1H3
InChIKeyLIZWSZQTDAHUOV-UHFFFAOYSA-N
XLogP3.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
1-[(3-methylphenyl)methyl]-6-nitroindole
CID 116620954
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
3-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546598
1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde
CID 102911365
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985
1-butylindole-6-carbaldehyde
CID 102910960
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
CID 102911290
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde?
The IUPAC name of 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde (CID 17221168) is 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde is Cc1cccc(Cn2ccc3ccc(C=O)cc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde?
The InChIKey is LIZWSZQTDAHUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-3-2-4-14(9-13)11-18-8-7-16-6-5-15(12-19)10-17(16)18/h2-10,12H,11H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde?
1-[(3-methylphenyl)methyl]indole-6-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]indole-6-carbaldehyde is sourced from PubChem (CID 17221168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).