4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde

C11H11BrO4 — CID 75406688

IUPAC4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1OCC1OCCO1
InChIInChI=1S/C11H11BrO4/c12-9-2-1-8(6-13)10(5-9)16-7-11-14-3-4-15-11/h1-2,5-6,11H,3-4,7H2
InChIKeySJVASKYRYLNQKL-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.01
Rot. Bonds4

About 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde

4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde (PubChem CID 75406688) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
PubChem CID75406688
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1OCC1OCCO1
InChIInChI=1S/C11H11BrO4/c12-9-2-1-8(6-13)10(5-9)16-7-11-14-3-4-15-11/h1-2,5-6,11H,3-4,7H2
InChIKeySJVASKYRYLNQKL-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.01
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

4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
2-[[5-bromo-2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168590749
4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
CID 82006187
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 175222073
2,4-dibromo-5-[(5,5-dimethyl-1,3-dioxan-2-yl)methoxy]benzaldehyde
CID 57415111
4-bromo-2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 58008259
2-(5-bromo-2-formylphenoxy)propanoic acid
CID 175669416
3-[(5-bromo-2-formylphenoxy)methyl]benzonitrile
CID 164566411
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
5-bromo-2-(oxolan-2-yloxy)benzaldehyde
CID 121221842
2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane
CID 91636277

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde (CID 75406688) is 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde is O=Cc1ccc(Br)cc1OCC1OCCO1.
What is the InChIKey of 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde?
The InChIKey is SJVASKYRYLNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c12-9-2-1-8(6-13)10(5-9)16-7-11-14-3-4-15-11/h1-2,5-6,11H,3-4,7H2.
What are the key properties of 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde?
4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde has a molecular weight of 287.11 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 75406688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).