2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde

C14H9FO4 — CID 114067205

IUPAC2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H9FO4/c15-11-3-1-2-9(7-16)14(11)19-10-4-5-12-13(6-10)18-8-17-12/h1-7H,8H2
InChIKeyBUQDWPXFICKKKP-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.16
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde

2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde (PubChem CID 114067205) has the molecular formula C14H9FO4 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde
PubChem CID114067205
Molecular FormulaC14H9FO4
Molecular Weight260.22 g/mol
Exact Mass260.05
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H9FO4/c15-11-3-1-2-9(7-16)14(11)19-10-4-5-12-13(6-10)18-8-17-12/h1-7H,8H2
InChIKeyBUQDWPXFICKKKP-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Benzodioxole-5-carboxaldehyde, 6-methoxy-
CID 601861
Cuneatin methyl ether
CID 343083
5-Methoxy-6,7-methylenedioxyflavone
CID 189609
Maxima isoflavone C
CID 343080
2-Methyl-6,7-methylenedioxy-5-(4-phenoxybutoxy)-4H-[1]benzopyran-4-one
CID 42631474
4-(Benzo[1,3]dioxol-5-ylmethoxy)-benzaldehyde
CID 3144073
2-(Benzo[1,3]dioxol-5-ylmethoxy)-benzaldehyde
CID 3144099
7,8-(Methylenedioxy)flavone
CID 122184917
Irisolone methyl ether
CID 14539329
Fujikinetin methyl ether
CID 15984086
Linderoflavone B
CID 97151
Maximaisoflavone B
CID 44257236

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde (CID 114067205) is 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde is O=Cc1cccc(F)c1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde?
The InChIKey is BUQDWPXFICKKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO4/c15-11-3-1-2-9(7-16)14(11)19-10-4-5-12-13(6-10)18-8-17-12/h1-7H,8H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde?
2-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde has a molecular weight of 260.22 g/mol, XLogP of 3.16, 3 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-yloxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 114067205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).