5-(3-methylphenyl)-1H-indole-3-carbaldehyde

C16H13NO — CID 4186285

IUPAC5-(3-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1cccc(-c2ccc3[nH]cc(C=O)c3c2)c1
InChIInChI=1S/C16H13NO/c1-11-3-2-4-12(7-11)13-5-6-16-15(8-13)14(10-18)9-17-16/h2-10,17H,1H3
InChIKeyMVANRYWUHCINSU-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.96
Rot. Bonds2

About 5-(3-methylphenyl)-1H-indole-3-carbaldehyde

5-(3-methylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 4186285) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-methylphenyl)-1H-indole-3-carbaldehyde
PubChem CID4186285
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-(3-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1cccc(-c2ccc3[nH]cc(C=O)c3c2)c1
InChIInChI=1S/C16H13NO/c1-11-3-2-4-12(7-11)13-5-6-16-15(8-13)14(10-18)9-17-16/h2-10,17H,1H3
InChIKeyMVANRYWUHCINSU-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.96
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-(3-methylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-(3-methylphenyl)-1H-indole-3-carbaldehyde (CID 4186285) is 5-(3-methylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-(3-methylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-(3-methylphenyl)-1H-indole-3-carbaldehyde is Cc1cccc(-c2ccc3[nH]cc(C=O)c3c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is MVANRYWUHCINSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11-3-2-4-12(7-11)13-5-6-16-15(8-13)14(10-18)9-17-16/h2-10,17H,1H3.
What are the key properties of 5-(3-methylphenyl)-1H-indole-3-carbaldehyde?
5-(3-methylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4186285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).