2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde

C15H13BrO — CID 172604328

IUPAC2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
SMILESCc1ccc(C(C=O)c2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO/c1-11-7-8-13(9-15(11)16)14(10-17)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyZOYDDVJRZVLDQR-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.09
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde

2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde (PubChem CID 172604328) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
PubChem CID172604328
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
SMILESCc1ccc(C(C=O)c2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO/c1-11-7-8-13(9-15(11)16)14(10-17)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyZOYDDVJRZVLDQR-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.09
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

2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
CID 81476239
2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
CID 87096774
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
2-[3-(2-ethynyl-6-fluorophenyl)-4-methylphenyl]-2-phenylacetaldehyde
CID 172605049
2,2-bis(4-methylphenyl)acetaldehyde
CID 10867935
2-(3,5-difluorophenyl)-2-phenylacetaldehyde
CID 87253871
2-[3-(2-ethynyl-6-fluorophenyl)-4-methylphenyl]-2-phenylacetaldehyde;propane
CID 172605048
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3R)-3-(3-bromo-4-methylphenyl)-3-formamidopropanoic acid
CID 105405245

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde (CID 172604328) is 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde is Cc1ccc(C(C=O)c2ccccc2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde?
The InChIKey is ZOYDDVJRZVLDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-11-7-8-13(9-15(11)16)14(10-17)12-5-3-2-4-6-12/h2-10,14H,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde?
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde has a molecular weight of 289.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 172604328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).