4-(4-methylindol-1-yl)benzaldehyde

C16H13NO — CID 139851762

IUPAC4-(4-methylindol-1-yl)benzaldehyde
SMILESCc1cccc2c1ccn2-c1ccc(C=O)cc1
InChIInChI=1S/C16H13NO/c1-12-3-2-4-16-15(12)9-10-17(16)14-7-5-13(11-18)6-8-14/h2-11H,1H3
InChIKeyNKIWBERXXASFSE-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.75
Rot. Bonds2

About 4-(4-methylindol-1-yl)benzaldehyde

4-(4-methylindol-1-yl)benzaldehyde (PubChem CID 139851762) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-methylindol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-methylindol-1-yl)benzaldehyde
PubChem CID139851762
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-(4-methylindol-1-yl)benzaldehyde
SMILESCc1cccc2c1ccn2-c1ccc(C=O)cc1
InChIInChI=1S/C16H13NO/c1-12-3-2-4-16-15(12)9-10-17(16)14-7-5-13(11-18)6-8-14/h2-11H,1H3
InChIKeyNKIWBERXXASFSE-UHFFFAOYSA-N
XLogP3.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.75
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

4-methyl-1-phenylindole
CID 138964714
4,6-dimethyl-1-phenylindole;ethane
CID 156724635
4-(3-methyl-2-nitrophenyl)-1-phenylindole
CID 135264974
1,5-dimethylquinolin-2-one
CID 19387899
3-indol-1-ylbenzaldehyde
CID 175205647
4-(1-oxoisoquinolin-2-yl)benzaldehyde
CID 123457542
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
4-fluoro-1-(4-fluorophenyl)indole
CID 91138606
4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
CID 164566322
4-(2-methylsulfonylphenyl)-1-phenylindole
CID 67640939
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylindol-1-yl)benzaldehyde?
The IUPAC name of 4-(4-methylindol-1-yl)benzaldehyde (CID 139851762) is 4-(4-methylindol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-methylindol-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-methylindol-1-yl)benzaldehyde is Cc1cccc2c1ccn2-c1ccc(C=O)cc1.
What is the InChIKey of 4-(4-methylindol-1-yl)benzaldehyde?
The InChIKey is NKIWBERXXASFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-3-2-4-16-15(12)9-10-17(16)14-7-5-13(11-18)6-8-14/h2-11H,1H3.
What are the key properties of 4-(4-methylindol-1-yl)benzaldehyde?
4-(4-methylindol-1-yl)benzaldehyde has a molecular weight of 235.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylindol-1-yl)benzaldehyde is sourced from PubChem (CID 139851762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).