2,2-dibromo-2-(4-ethylphenyl)acetaldehyde

C10H10Br2O — CID 87515612

IUPAC2,2-dibromo-2-(4-ethylphenyl)acetaldehyde
SMILESCCc1ccc(C(Br)(Br)C=O)cc1
InChIInChI=1S/C10H10Br2O/c1-2-8-3-5-9(6-4-8)10(11,12)7-13/h3-7H,2H2,1H3
InChIKeyHEGONVHLDNNILX-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.39
Rot. Bonds3

About 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde

2,2-dibromo-2-(4-ethylphenyl)acetaldehyde (PubChem CID 87515612) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-dibromo-2-(4-ethylphenyl)acetaldehyde
PubChem CID87515612
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2,2-dibromo-2-(4-ethylphenyl)acetaldehyde
SMILESCCc1ccc(C(Br)(Br)C=O)cc1
InChIInChI=1S/C10H10Br2O/c1-2-8-3-5-9(6-4-8)10(11,12)7-13/h3-7H,2H2,1H3
InChIKeyHEGONVHLDNNILX-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-ethylbenzene
CID 157359507
1,4-diethylbenzene;oxoalumane
CID 174317758
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
(4-ethylphenyl)methanol;formamide
CID 142287021
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
1,4-diethylbenzene;ethane;methane
CID 166131756
1-bromo-4-ethylbenzene
CID 15313
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
2-(4-ethylphenyl)propane-2-sulfonyl chloride
CID 116866367

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde?
The IUPAC name of 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde (CID 87515612) is 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde.
What is the SMILES notation for 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde?
The canonical SMILES for 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde is CCc1ccc(C(Br)(Br)C=O)cc1.
What is the InChIKey of 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde?
The InChIKey is HEGONVHLDNNILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-2-8-3-5-9(6-4-8)10(11,12)7-13/h3-7H,2H2,1H3.
What are the key properties of 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde?
2,2-dibromo-2-(4-ethylphenyl)acetaldehyde has a molecular weight of 306.00 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-(4-ethylphenyl)acetaldehyde is sourced from PubChem (CID 87515612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).