7-hydroxy-1-propan-2-ylindole-4-carbaldehyde

C12H13NO2 — CID 122448541

IUPAC7-hydroxy-1-propan-2-ylindole-4-carbaldehyde
SMILESCC(C)n1ccc2c(C=O)ccc(O)c21
InChIInChI=1S/C12H13NO2/c1-8(2)13-6-5-10-9(7-14)3-4-11(15)12(10)13/h3-8,15H,1-2H3
InChIKeyOSIPXPNJWZNCQZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.74
Rot. Bonds2

About 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde

7-hydroxy-1-propan-2-ylindole-4-carbaldehyde (PubChem CID 122448541) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-1-propan-2-ylindole-4-carbaldehyde
PubChem CID122448541
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-hydroxy-1-propan-2-ylindole-4-carbaldehyde
SMILESCC(C)n1ccc2c(C=O)ccc(O)c21
InChIInChI=1S/C12H13NO2/c1-8(2)13-6-5-10-9(7-14)3-4-11(15)12(10)13/h3-8,15H,1-2H3
InChIKeyOSIPXPNJWZNCQZ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde?
The IUPAC name of 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde (CID 122448541) is 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde.
What is the SMILES notation for 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde?
The canonical SMILES for 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde is CC(C)n1ccc2c(C=O)ccc(O)c21.
What is the InChIKey of 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde?
The InChIKey is OSIPXPNJWZNCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(2)13-6-5-10-9(7-14)3-4-11(15)12(10)13/h3-8,15H,1-2H3.
What are the key properties of 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde?
7-hydroxy-1-propan-2-ylindole-4-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-propan-2-ylindole-4-carbaldehyde is sourced from PubChem (CID 122448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).