1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde

C12H13NO2 — CID 99991157

IUPAC1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde
SMILESCCn1c(C)c(C=O)c2cc(O)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-8(2)11(7-14)10-6-9(15)4-5-12(10)13/h4-7,15H,3H2,1-2H3
InChIKeyKATWYJAUSDFXEG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.49
Rot. Bonds2

About 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde

1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde (PubChem CID 99991157) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde
PubChem CID99991157
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde
SMILESCCn1c(C)c(C=O)c2cc(O)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-8(2)11(7-14)10-6-9(15)4-5-12(10)13/h4-7,15H,3H2,1-2H3
InChIKeyKATWYJAUSDFXEG-UHFFFAOYSA-N
XLogP2.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
CID 4769907
9-ethyl-1-methylcarbazole-3,6-diol
CID 69337155
1-ethyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 105473665
1-butyl-3-formyl-2-methylindole-5-carboxylic acid
CID 83947383
5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
CID 99991192
1-(2-ethenylsulfanylprop-2-enyl)-5-hydroxy-2-methylindole-3-carbaldehyde;1-(2-fluorophenyl)-N-methylmethanamine
CID 143527668
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
CID 136720459
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid
CID 83947324
1-ethyl-3-formyl-2,5-dimethylindole-7-carboxylic acid
CID 83947250
2-chloro-1-ethyl-5-propan-2-ylindole-3-carbaldehyde
CID 82268593
1-ethyl-2-methylindol-5-ol
CID 115014527

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde?
The IUPAC name of 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde (CID 99991157) is 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde is CCn1c(C)c(C=O)c2cc(O)ccc21.
What is the InChIKey of 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde?
The InChIKey is KATWYJAUSDFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-8(2)11(7-14)10-6-9(15)4-5-12(10)13/h4-7,15H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde?
1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde is sourced from PubChem (CID 99991157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).