2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde

C10H10Br2O3 — CID 87481977

IUPAC2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
SMILESCOc1cccc(OC)c1C(Br)(Br)C=O
InChIInChI=1S/C10H10Br2O3/c1-14-7-4-3-5-8(15-2)9(7)10(11,12)6-13/h3-6H,1-2H3
InChIKeyFQYCFOVBUXVHCK-UHFFFAOYSA-N
MW338.00 g/mol
LogP2.85
Rot. Bonds4

About 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde

2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde (PubChem CID 87481977) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
PubChem CID87481977
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
SMILESCOc1cccc(OC)c1C(Br)(Br)C=O
InChIInChI=1S/C10H10Br2O3/c1-14-7-4-3-5-8(15-2)9(7)10(11,12)6-13/h3-6H,1-2H3
InChIKeyFQYCFOVBUXVHCK-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 19417903
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
3-methoxy-2-methylselanylbenzaldehyde
CID 140629309

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde?
The IUPAC name of 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde (CID 87481977) is 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde?
The canonical SMILES for 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde is COc1cccc(OC)c1C(Br)(Br)C=O.
What is the InChIKey of 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde?
The InChIKey is FQYCFOVBUXVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-14-7-4-3-5-8(15-2)9(7)10(11,12)6-13/h3-6H,1-2H3.
What are the key properties of 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde?
2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde has a molecular weight of 338.00 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde is sourced from PubChem (CID 87481977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).