2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde

C15H12O4 — CID 3144099

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12O4/c16-8-12-3-1-2-4-13(12)17-9-11-5-6-14-15(7-11)19-10-18-14/h1-8H,9-10H2
InChIKeyZASDUQWLROGIHF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.81
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde

2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde (PubChem CID 3144099) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde
PubChem CID3144099
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12O4/c16-8-12-3-1-2-4-13(12)17-9-11-5-6-14-15(7-11)19-10-18-14/h1-8H,9-10H2
InChIKeyZASDUQWLROGIHF-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.81
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-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde (CID 3144099) is 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde is O=Cc1ccccc1OCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde?
The InChIKey is ZASDUQWLROGIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-8-12-3-1-2-4-13(12)17-9-11-5-6-14-15(7-11)19-10-18-14/h1-8H,9-10H2.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde?
2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde has a molecular weight of 256.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethoxy)benzaldehyde is sourced from PubChem (CID 3144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).