3,5-dibromo-4-(3-bromopropoxy)benzaldehyde

C10H9Br3O2 — CID 86075409

IUPAC3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCCCBr)c(Br)c1
InChIInChI=1S/C10H9Br3O2/c11-2-1-3-15-10-8(12)4-7(6-14)5-9(10)13/h4-6H,1-3H2
InChIKeyYOENXJUTHWGBRP-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.19
Rot. Bonds5

About 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde

3,5-dibromo-4-(3-bromopropoxy)benzaldehyde (PubChem CID 86075409) has the molecular formula C10H9Br3O2 and a molecular weight of 400.89 g/mol. Its IUPAC name is 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
PubChem CID86075409
Molecular FormulaC10H9Br3O2
Molecular Weight400.89 g/mol
Exact Mass397.82
IUPAC Name3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCCCBr)c(Br)c1
InChIInChI=1S/C10H9Br3O2/c11-2-1-3-15-10-8(12)4-7(6-14)5-9(10)13/h4-6H,1-3H2
InChIKeyYOENXJUTHWGBRP-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
3,5-dibromo-4-(3,3-dimethylbutoxy)benzaldehyde
CID 107738096
3,5-dibromo-4-[3-(2-methoxyethoxy)propoxy]benzaldehyde
CID 107738282
3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
CID 22999184
3,5-dibromo-4-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 107738170
3,5-bis(4-bromobutoxy)benzaldehyde
CID 121004759
3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
CID 106438593
3-bromo-5-ethoxy-4-(6-hydroxyhexoxy)benzaldehyde
CID 107703888
3,5-dibromo-4-(2-ethyl-2-hydroxybutoxy)benzaldehyde
CID 107738233
4-(2-bromo-6-ethoxy-4-formylphenoxy)butanenitrile
CID 43627019
3,5-dibromo-4-(2-hydroxy-3,3-dimethylbutoxy)benzaldehyde
CID 114265273
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde (CID 86075409) is 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde is O=Cc1cc(Br)c(OCCCBr)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde?
The InChIKey is YOENXJUTHWGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br3O2/c11-2-1-3-15-10-8(12)4-7(6-14)5-9(10)13/h4-6H,1-3H2.
What are the key properties of 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde?
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde has a molecular weight of 400.89 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(3-bromopropoxy)benzaldehyde is sourced from PubChem (CID 86075409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).