3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde

C10H8Br2O2 — CID 61391450

IUPAC3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
SMILESC=C(Br)COc1c(Br)cccc1C=O
InChIInChI=1S/C10H8Br2O2/c1-7(11)6-14-10-8(5-13)3-2-4-9(10)12/h2-5H,1,6H2
InChIKeyWONSEEWEUOTBFX-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.55
Rot. Bonds4

About 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde

3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde (PubChem CID 61391450) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
PubChem CID61391450
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
SMILESC=C(Br)COc1c(Br)cccc1C=O
InChIInChI=1S/C10H8Br2O2/c1-7(11)6-14-10-8(5-13)3-2-4-9(10)12/h2-5H,1,6H2
InChIKeyWONSEEWEUOTBFX-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
CID 61390786
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
3-bromo-2-butoxybenzaldehyde
CID 61390829
3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
CID 61391298
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
3-bromo-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 61391435
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
3-bromo-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 61391447
3-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 54962323
methyl 4-[(2-bromo-6-formylphenoxy)methyl]benzoate
CID 61390817
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde?
The IUPAC name of 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde (CID 61391450) is 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde?
The canonical SMILES for 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde is C=C(Br)COc1c(Br)cccc1C=O.
What is the InChIKey of 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde?
The InChIKey is WONSEEWEUOTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c1-7(11)6-14-10-8(5-13)3-2-4-9(10)12/h2-5H,1,6H2.
What are the key properties of 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde?
3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde has a molecular weight of 319.98 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 61391450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).