3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde

C17H16Br2O2 — CID 107738328

IUPAC3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
SMILESCC(C)c1ccc(COc2c(Br)cc(C=O)cc2Br)cc1
InChIInChI=1S/C17H16Br2O2/c1-11(2)14-5-3-12(4-6-14)10-21-17-15(18)7-13(9-20)8-16(17)19/h3-9,11H,10H2,1-2H3
InChIKeyJCPACNAYNMXODO-UHFFFAOYSA-N
MW412.12 g/mol
LogP5.73
Rot. Bonds5

About 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde

3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde (PubChem CID 107738328) has the molecular formula C17H16Br2O2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
PubChem CID107738328
Molecular FormulaC17H16Br2O2
Molecular Weight412.12 g/mol
Exact Mass409.95
IUPAC Name3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
SMILESCC(C)c1ccc(COc2c(Br)cc(C=O)cc2Br)cc1
InChIInChI=1S/C17H16Br2O2/c1-11(2)14-5-3-12(4-6-14)10-21-17-15(18)7-13(9-20)8-16(17)19/h3-9,11H,10H2,1-2H3
InChIKeyJCPACNAYNMXODO-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]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

5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
(4Z)-4-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668496
3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 882013
5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 118408184
5-bromo-1-(chloromethyl)-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 115962315
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 3417152
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde (CID 107738328) is 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde is CC(C)c1ccc(COc2c(Br)cc(C=O)cc2Br)cc1.
What is the InChIKey of 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The InChIKey is JCPACNAYNMXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O2/c1-11(2)14-5-3-12(4-6-14)10-21-17-15(18)7-13(9-20)8-16(17)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde has a molecular weight of 412.12 g/mol, XLogP of 5.73, 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-[(4-propan-2-ylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 107738328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).