7-ethyl-2-hydroxynaphthalene-1-carbaldehyde

C13H12O2 — CID 89338488

IUPAC7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
SMILESCCc1ccc2ccc(O)c(C=O)c2c1
InChIInChI=1S/C13H12O2/c1-2-9-3-4-10-5-6-13(15)12(8-14)11(10)7-9/h3-8,15H,2H2,1H3
InChIKeyUGISYUDCYGEAPQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.92
Rot. Bonds2

About 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde

7-ethyl-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 89338488) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID89338488
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
SMILESCCc1ccc2ccc(O)c(C=O)c2c1
InChIInChI=1S/C13H12O2/c1-2-9-3-4-10-5-6-13(15)12(8-14)11(10)7-9/h3-8,15H,2H2,1H3
InChIKeyUGISYUDCYGEAPQ-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde (CID 89338488) is 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde is CCc1ccc2ccc(O)c(C=O)c2c1.
What is the InChIKey of 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is UGISYUDCYGEAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-9-3-4-10-5-6-13(15)12(8-14)11(10)7-9/h3-8,15H,2H2,1H3.
What are the key properties of 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde?
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 89338488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).