2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde

C12H8O3 — CID 174414961

IUPAC2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C12H8O3/c13-7-12(15)10-5-6-11(14)9-4-2-1-3-8(9)10/h1-7,14H
InChIKeyFUVAOOIKUZRQDZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde

2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde (PubChem CID 174414961) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
PubChem CID174414961
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C12H8O3/c13-7-12(15)10-5-6-11(14)9-4-2-1-3-8(9)10/h1-7,14H
InChIKeyFUVAOOIKUZRQDZ-UHFFFAOYSA-N
XLogP1.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde (CID 174414961) is 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde is O=CC(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde?
The InChIKey is FUVAOOIKUZRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-7-12(15)10-5-6-11(14)9-4-2-1-3-8(9)10/h1-7,14H.
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde?
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde has a molecular weight of 200.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174414961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).