2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde

C20H16O4 — CID 87827068

IUPAC2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde
SMILESO=Cc1ccc2cc(C=O)ccc2c1.c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H8O2.C8H8O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9;1-2-4-8-7(3-1)9-5-6-10-8/h1-8H;1-4H,5-6H2
InChIKeyBGEWCTBRWIDPOU-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.92
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde

2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde (PubChem CID 87827068) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde
PubChem CID87827068
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde
SMILESO=Cc1ccc2cc(C=O)ccc2c1.c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H8O2.C8H8O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9;1-2-4-8-7(3-1)9-5-6-10-8/h1-8H;1-4H,5-6H2
InChIKeyBGEWCTBRWIDPOU-UHFFFAOYSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde (CID 87827068) is 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde is O=Cc1ccc2cc(C=O)ccc2c1.c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde?
The InChIKey is BGEWCTBRWIDPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2.C8H8O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9;1-2-4-8-7(3-1)9-5-6-10-8/h1-8H;1-4H,5-6H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde?
2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde has a molecular weight of 320.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde is sourced from PubChem (CID 87827068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).