2-methoxy-5-(1-methylindol-2-yl)benzaldehyde

C17H15NO2 — CID 141069508

IUPAC2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
SMILESCOc1ccc(-c2cc3ccccc3n2C)cc1C=O
InChIInChI=1S/C17H15NO2/c1-18-15-6-4-3-5-12(15)10-16(18)13-7-8-17(20-2)14(9-13)11-19/h3-11H,1-2H3
InChIKeyAPJIVBDYROJJGJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.67
Rot. Bonds3

About 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde

2-methoxy-5-(1-methylindol-2-yl)benzaldehyde (PubChem CID 141069508) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
PubChem CID141069508
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
SMILESCOc1ccc(-c2cc3ccccc3n2C)cc1C=O
InChIInChI=1S/C17H15NO2/c1-18-15-6-4-3-5-12(15)10-16(18)13-7-8-17(20-2)14(9-13)11-19/h3-11H,1-2H3
InChIKeyAPJIVBDYROJJGJ-UHFFFAOYSA-N
XLogP3.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde
CID 122365767
benzene;1-methyl-2-phenylindole
CID 158316839
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
CID 82388354
1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
CID 54426716
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421
3-formyl-4-methoxybenzenesulfinic acid
CID 138566967
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
3-(1-methylindol-2-yl)thiophene-2-carbaldehyde
CID 82387318

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde (CID 141069508) is 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde is COc1ccc(-c2cc3ccccc3n2C)cc1C=O.
What is the InChIKey of 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde?
The InChIKey is APJIVBDYROJJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-15-6-4-3-5-12(15)10-16(18)13-7-8-17(20-2)14(9-13)11-19/h3-11H,1-2H3.
What are the key properties of 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde?
2-methoxy-5-(1-methylindol-2-yl)benzaldehyde has a molecular weight of 265.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methylindol-2-yl)benzaldehyde is sourced from PubChem (CID 141069508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).