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

N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
CID 146414088
2-[4-[2-(6-bromo-2-hydroxynaphthalen-1-yl)ethenyl]phenoxy]acetic acid
CID 74927024
2-[3,5-bis(carboxymethoxy)-4-formylphenoxy]acetic acid
CID 56974198
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
2-[6-(bromomethyl)naphthalen-2-yl]oxyacetic acid
CID 69228265
6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
CID 165164881
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
CID 89338488
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975
6-[6-[5-(4-ethoxyphenyl)pentanoyl]-2-pyridinyl]-2-hydroxynaphthalene-1-carbaldehyde
CID 137099107
2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
CID 82580332

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).