2-(3,4-dibromophenyl)-2-methoxyacetaldehyde

C9H8Br2O2 — CID 130646189

IUPAC2-(3,4-dibromophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1ccc(Br)c(Br)c1
InChIInChI=1S/C9H8Br2O2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-5,9H,1H3
InChIKeyQTXPHGJUAZQVDY-UHFFFAOYSA-N
MW307.97 g/mol
LogP3.10
Rot. Bonds3

About 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde

2-(3,4-dibromophenyl)-2-methoxyacetaldehyde (PubChem CID 130646189) has the molecular formula C9H8Br2O2 and a molecular weight of 307.97 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)-2-methoxyacetaldehyde
PubChem CID130646189
Molecular FormulaC9H8Br2O2
Molecular Weight307.97 g/mol
Exact Mass305.89
IUPAC Name2-(3,4-dibromophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1ccc(Br)c(Br)c1
InChIInChI=1S/C9H8Br2O2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-5,9H,1H3
InChIKeyQTXPHGJUAZQVDY-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-methoxyacetaldehyde
CID 83840143
2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde
CID 131026663
methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
CID 130927845
2-(3,5-dibromo-4-pyridinyl)-2-methoxyacetaldehyde
CID 130689864
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
2-bromo-1-chloro-4-(dimethoxymethyl)benzene
CID 15300643
(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol
CID 171265799
2-(3-bromo-4-methoxyphenyl)-2-[formyl(methyl)amino]acetic acid
CID 63688709
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
methyl 2-(3,4-dibromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 114077400
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde (CID 130646189) is 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde is COC(C=O)c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde?
The InChIKey is QTXPHGJUAZQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-5,9H,1H3.
What are the key properties of 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde?
2-(3,4-dibromophenyl)-2-methoxyacetaldehyde has a molecular weight of 307.97 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)-2-methoxyacetaldehyde is sourced from PubChem (CID 130646189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).