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

C15H12Br2O3 — CID 107738219

IUPAC3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCOCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H12Br2O3/c16-13-6-12(8-18)7-14(17)15(13)20-10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyANNMBIOGNRRFJZ-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.58
Rot. Bonds6

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

3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde (PubChem CID 107738219) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
PubChem CID107738219
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCOCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H12Br2O3/c16-13-6-12(8-18)7-14(17)15(13)20-10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyANNMBIOGNRRFJZ-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.58
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'}

Analyze 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
CID 162531112
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932
3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
CID 107738292
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328
3,5-dibromo-4-(2,2-difluoro-2-phenylethoxy)benzaldehyde
CID 107738275
4-(1-benzothiophen-3-ylmethoxy)-3,5-dibromobenzaldehyde
CID 107738165
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
CID 170459869
3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde (CID 107738219) is 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde is O=Cc1cc(Br)c(OCOCc2ccccc2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde?
The InChIKey is ANNMBIOGNRRFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c16-13-6-12(8-18)7-14(17)15(13)20-10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde?
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde has a molecular weight of 400.07 g/mol, XLogP of 4.58, 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-(phenylmethoxymethoxy)benzaldehyde is sourced from PubChem (CID 107738219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).