1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde

C19H19NO — CID 102909906

IUPAC1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
SMILESCc1cc(C)c(Cn2ccc3cccc(C=O)c32)c(C)c1
InChIInChI=1S/C19H19NO/c1-13-9-14(2)18(15(3)10-13)11-20-8-7-16-5-4-6-17(12-21)19(16)20/h4-10,12H,11H2,1-3H3
InChIKeyCUROWTLPWIFQIK-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.43
Rot. Bonds3

About 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde

1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde (PubChem CID 102909906) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
PubChem CID102909906
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
SMILESCc1cc(C)c(Cn2ccc3cccc(C=O)c32)c(C)c1
InChIInChI=1S/C19H19NO/c1-13-9-14(2)18(15(3)10-13)11-20-8-7-16-5-4-6-17(12-21)19(16)20/h4-10,12H,11H2,1-3H3
InChIKeyCUROWTLPWIFQIK-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.43
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

7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
CID 102910173
1-(2-ethylbutyl)indole-7-carbaldehyde
CID 102910011
1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-7-carbaldehyde
CID 102910161
1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910123
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
CID 102910068
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
CID 102909905

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde (CID 102909906) is 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde is Cc1cc(C)c(Cn2ccc3cccc(C=O)c32)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde?
The InChIKey is CUROWTLPWIFQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-9-14(2)18(15(3)10-13)11-20-8-7-16-5-4-6-17(12-21)19(16)20/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde?
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde is sourced from PubChem (CID 102909906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).