7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde

C11H11NO2 — CID 105443493

IUPAC7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2c(O)ccc(C)c2c1C=O
InChIInChI=1S/C11H11NO2/c1-6-3-4-9(14)11-10(6)8(5-13)7(2)12-11/h3-5,12,14H,1-2H3
InChIKeyBHVJBNVZAUOFIM-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.30
Rot. Bonds1

About 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde

7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde (PubChem CID 105443493) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde
PubChem CID105443493
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2c(O)ccc(C)c2c1C=O
InChIInChI=1S/C11H11NO2/c1-6-3-4-9(14)11-10(6)8(5-13)7(2)12-11/h3-5,12,14H,1-2H3
InChIKeyBHVJBNVZAUOFIM-UHFFFAOYSA-N
XLogP2.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 105443504
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
CID 105457119
7-hydroxy-4-methyl-1H-indole-3-carbaldehyde
CID 105435994
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
4-iodo-2-methyl-1H-indole-3-carbaldehyde
CID 12541890
1,4-dimethylanthracene-9,10-dicarbaldehyde;dihydrochloride
CID 23471446
3-hydroxy-6-methyl-2-(4-oxobutyl)benzaldehyde
CID 88651985
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
4-ethyl-2-methyl-1H-indole-3-carbaldehyde
CID 88756486
formic acid;2,3,4-trimethylphenol
CID 67747401
3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol
CID 176685867
methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 71200688

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde (CID 105443493) is 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde is Cc1[nH]c2c(O)ccc(C)c2c1C=O.
What is the InChIKey of 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde?
The InChIKey is BHVJBNVZAUOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-6-3-4-9(14)11-10(6)8(5-13)7(2)12-11/h3-5,12,14H,1-2H3.
What are the key properties of 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde?
7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 105443493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).