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

C12H12Br2O3 — CID 107738292

IUPAC3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCOCC2CC2)c(Br)c1
InChIInChI=1S/C12H12Br2O3/c13-10-3-9(5-15)4-11(14)12(10)17-7-16-6-8-1-2-8/h3-5,8H,1-2,6-7H2
InChIKeyUPSWDPMCLDXFDP-UHFFFAOYSA-N
MW364.03 g/mol
LogP3.79
Rot. Bonds6

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

3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde (PubChem CID 107738292) has the molecular formula C12H12Br2O3 and a molecular weight of 364.03 g/mol. Its IUPAC name is 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
PubChem CID107738292
Molecular FormulaC12H12Br2O3
Molecular Weight364.03 g/mol
Exact Mass361.92
IUPAC Name3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCOCC2CC2)c(Br)c1
InChIInChI=1S/C12H12Br2O3/c13-10-3-9(5-15)4-11(14)12(10)17-7-16-6-8-1-2-8/h3-5,8H,1-2,6-7H2
InChIKeyUPSWDPMCLDXFDP-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(cyclopropylmethoxymethoxy)-5-ethoxybenzaldehyde
CID 106929617
1,3-dibromo-5-(bromomethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 107745625
3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde
CID 106929635
1-[3,5-dibromo-4-(cyclopropylmethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741896
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
1-bromo-5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-3-methoxybenzene
CID 106929890
3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde
CID 106929631
4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
CID 106929603
3,5-dibromo-4-cyclopentyloxybenzaldehyde
CID 107738345
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
CID 86075409
3,5-dibromo-4-[3-(2-methoxyethoxy)propoxy]benzaldehyde
CID 107738282
3-bromo-2-(cyclopropylmethoxymethoxy)benzoic acid
CID 106929648

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde (CID 107738292) is 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde is O=Cc1cc(Br)c(OCOCC2CC2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde?
The InChIKey is UPSWDPMCLDXFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2O3/c13-10-3-9(5-15)4-11(14)12(10)17-7-16-6-8-1-2-8/h3-5,8H,1-2,6-7H2.
What are the key properties of 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde?
3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde has a molecular weight of 364.03 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde is sourced from PubChem (CID 107738292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).