1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde

C15H16O4 — CID 88868066

IUPAC1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde
SMILESC1COCCO1.O=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C11H8O2.C4H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8;1-2-6-4-3-5-1/h1-7,13H;1-4H2
InChIKeyFEYJVWFCCITRQF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.39
Rot. Bonds1

About 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde

1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde (PubChem CID 88868066) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde
PubChem CID88868066
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde
SMILESC1COCCO1.O=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C11H8O2.C4H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8;1-2-6-4-3-5-1/h1-7,13H;1-4H2
InChIKeyFEYJVWFCCITRQF-UHFFFAOYSA-N
XLogP2.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-1-naphthaldehyde
CID 12819
6-Hydroxy-2-naphthoic acid
CID 85557
6-Benzoyl-2-naphthol
CID 93271
3-Hydroxynaphthalene-2-carbaldehyde
CID 315482
4-Hydroxy-1-naphthaldehyde
CID 344290
7-Hydroxy-2-methoxy-1,4-phenanthrenedione
CID 637413
Vitrofolal E
CID 10947295
Vitexdoin B
CID 44478948
1-Hydroxy-2-naphthaldehyde
CID 443195
Vitexdoin C
CID 44478949
12-Demethylmultiorthoquinone
CID 467785
6-Hydroxy-1-naphthoic acid
CID 5463800

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde?
The IUPAC name of 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde (CID 88868066) is 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde?
The canonical SMILES for 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde is C1COCCO1.O=Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde?
The InChIKey is FEYJVWFCCITRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C4H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8;1-2-6-4-3-5-1/h1-7,13H;1-4H2.
What are the key properties of 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde?
1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde has a molecular weight of 260.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 88868066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).