2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid

C13H10O5 — CID 88947014

IUPAC2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid
SMILESO=Cc1c(O)ccc2cc(OCC(=O)O)ccc12
InChIInChI=1S/C13H10O5/c14-6-11-10-3-2-9(18-7-13(16)17)5-8(10)1-4-12(11)15/h1-6,15H,7H2,(H,16,17)
InChIKeyFQVKETYZWHAGBN-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.82
Rot. Bonds4

About 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid

2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid (PubChem CID 88947014) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid
PubChem CID88947014
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Name2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid
SMILESO=Cc1c(O)ccc2cc(OCC(=O)O)ccc12
InChIInChI=1S/C13H10O5/c14-6-11-10-3-2-9(18-7-13(16)17)5-8(10)1-4-12(11)15/h1-6,15H,7H2,(H,16,17)
InChIKeyFQVKETYZWHAGBN-UHFFFAOYSA-N
XLogP1.82
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 12819
CID 12819
CID 70161
CID 70161
CID 69182
CID 69182
CID 79352
CID 79352
CID 81680
CID 81680
CID 1253521
CID 1253521
CID 76321885
CID 76321885
CID 676304
CID 676304
CID 735460
CID 735460
CID 1471585
CID 1471585
CID 88099
CID 88099
CID 688704
CID 688704

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid?
The IUPAC name of 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid (CID 88947014) is 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid?
The canonical SMILES for 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid is O=Cc1c(O)ccc2cc(OCC(=O)O)ccc12.
What is the InChIKey of 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid?
The InChIKey is FQVKETYZWHAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5/c14-6-11-10-3-2-9(18-7-13(16)17)5-8(10)1-4-12(11)15/h1-6,15H,7H2,(H,16,17).
What are the key properties of 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid?
2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid has a molecular weight of 246.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid is sourced from PubChem (CID 88947014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).