3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde

C11H9Br2ClO2 — CID 106438593

IUPAC3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
SMILESCC(=CCl)COc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C11H9Br2ClO2/c1-7(4-14)6-16-11-9(12)2-8(5-15)3-10(11)13/h2-5H,6H2,1H3
InChIKeyNRRJKERKBQBPSS-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.55
Rot. Bonds4

About 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde

3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde (PubChem CID 106438593) has the molecular formula C11H9Br2ClO2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
PubChem CID106438593
Molecular FormulaC11H9Br2ClO2
Molecular Weight368.45 g/mol
Exact Mass365.87
IUPAC Name3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
SMILESCC(=CCl)COc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C11H9Br2ClO2/c1-7(4-14)6-16-11-9(12)2-8(5-15)3-10(11)13/h2-5H,6H2,1H3
InChIKeyNRRJKERKBQBPSS-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)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-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde
CID 106438554
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
N-[[3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 106437185
3,5-dibromo-4-(2-ethyl-2-hydroxybutoxy)benzaldehyde
CID 107738233
3,5-dibromo-4-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 107738170
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
CID 86075409
3,5-dibromo-4-(3,3-dimethylbutoxy)benzaldehyde
CID 107738096
2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107738387
2-(2-bromo-4-formyl-6-iodophenoxy)acetic acid
CID 4763787
3,5-dibromo-4-(2-hydroxy-3,3-dimethylbutoxy)benzaldehyde
CID 114265273
2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 106439089

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde (CID 106438593) is 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde is CC(=CCl)COc1c(Br)cc(C=O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde?
The InChIKey is NRRJKERKBQBPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClO2/c1-7(4-14)6-16-11-9(12)2-8(5-15)3-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde?
3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde has a molecular weight of 368.45 g/mol, XLogP of 4.55, 4 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-chloro-2-methylprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 106438593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).