5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde

C18H15NO3 — CID 71670304

IUPAC5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2C(=O)c1cccc(C)c1
InChIInChI=1S/C18H15NO3/c1-12-4-3-5-13(8-12)18(21)19-10-14(11-20)16-9-15(22-2)6-7-17(16)19/h3-11H,1-2H3
InChIKeyVMQXIVOTMBLMTE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.46
Rot. Bonds3

About 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde

5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde (PubChem CID 71670304) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
PubChem CID71670304
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2C(=O)c1cccc(C)c1
InChIInChI=1S/C18H15NO3/c1-12-4-3-5-13(8-12)18(21)19-10-14(11-20)16-9-15(22-2)6-7-17(16)19/h3-11H,1-2H3
InChIKeyVMQXIVOTMBLMTE-UHFFFAOYSA-N
XLogP3.46
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-5-methoxyindole-3-carbaldehyde
CID 11206300
methyl 1-benzoyl-3-formylindole-5-carboxylate
CID 141446667
1-fluoro-5-methoxyindole-3-carbaldehyde
CID 54415390
ethyl 5-methoxy-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819252
1-benzoyl-5-fluoroindole-3-carbaldehyde
CID 155678237
(3Z)-3-[[5-methoxy-1-(naphthalene-2-carbonyl)indol-3-yl]methylidene]-6-sulfanylidenepiperidine-2,4-dione
CID 146839048
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde
CID 141107005
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
1-(3,4-dichlorobenzoyl)indole-3-carbaldehyde
CID 91690489

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde?
The IUPAC name of 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde (CID 71670304) is 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde.
What is the SMILES notation for 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde?
The canonical SMILES for 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde is COc1ccc2c(c1)c(C=O)cn2C(=O)c1cccc(C)c1.
What is the InChIKey of 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde?
The InChIKey is VMQXIVOTMBLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-4-3-5-13(8-12)18(21)19-10-14(11-20)16-9-15(22-2)6-7-17(16)19/h3-11H,1-2H3.
What are the key properties of 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde?
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde has a molecular weight of 293.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde is sourced from PubChem (CID 71670304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).