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

C14H10Br2O — CID 164893108

IUPAC4-(3,5-dibromo-4-methylphenyl)benzaldehyde
SMILESCc1c(Br)cc(-c2ccc(C=O)cc2)cc1Br
InChIInChI=1S/C14H10Br2O/c1-9-13(15)6-12(7-14(9)16)11-4-2-10(8-17)3-5-11/h2-8H,1H3
InChIKeyZHKKDODCCYYLOT-UHFFFAOYSA-N
MW354.04 g/mol
LogP5.00
Rot. Bonds2

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

4-(3,5-dibromo-4-methylphenyl)benzaldehyde (PubChem CID 164893108) has the molecular formula C14H10Br2O and a molecular weight of 354.04 g/mol. Its IUPAC name is 4-(3,5-dibromo-4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(3,5-dibromo-4-methylphenyl)benzaldehyde
PubChem CID164893108
Molecular FormulaC14H10Br2O
Molecular Weight354.04 g/mol
Exact Mass351.91
IUPAC Name4-(3,5-dibromo-4-methylphenyl)benzaldehyde
SMILESCc1c(Br)cc(-c2ccc(C=O)cc2)cc1Br
InChIInChI=1S/C14H10Br2O/c1-9-13(15)6-12(7-14(9)16)11-4-2-10(8-17)3-5-11/h2-8H,1H3
InChIKeyZHKKDODCCYYLOT-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde
CID 89059488
2-(3-bromo-4-methylphenyl)pyrimidine-5-carbaldehyde
CID 107915521
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676
sodium;hydride;4-methylbenzaldehyde
CID 173013137
5-(4-formylphenyl)-2,3,4-trimethylbenzaldehyde
CID 175324399
3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde
CID 135294106
4-(4-aminophenyl)benzaldehyde
CID 1393544
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromo-4-methylphenyl)benzaldehyde?
The IUPAC name of 4-(3,5-dibromo-4-methylphenyl)benzaldehyde (CID 164893108) is 4-(3,5-dibromo-4-methylphenyl)benzaldehyde.
What is the SMILES notation for 4-(3,5-dibromo-4-methylphenyl)benzaldehyde?
The canonical SMILES for 4-(3,5-dibromo-4-methylphenyl)benzaldehyde is Cc1c(Br)cc(-c2ccc(C=O)cc2)cc1Br.
What is the InChIKey of 4-(3,5-dibromo-4-methylphenyl)benzaldehyde?
The InChIKey is ZHKKDODCCYYLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O/c1-9-13(15)6-12(7-14(9)16)11-4-2-10(8-17)3-5-11/h2-8H,1H3.
What are the key properties of 4-(3,5-dibromo-4-methylphenyl)benzaldehyde?
4-(3,5-dibromo-4-methylphenyl)benzaldehyde has a molecular weight of 354.04 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromo-4-methylphenyl)benzaldehyde is sourced from PubChem (CID 164893108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).