3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde

C10H10Br2O3 — CID 22999184

IUPAC3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCCBr
InChIInChI=1S/C10H10Br2O3/c1-14-9-5-7(6-13)4-8(12)10(9)15-3-2-11/h4-6H,2-3H2,1H3
InChIKeyZIPCYIVULKGFCU-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.04
Rot. Bonds5

About 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde

3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde (PubChem CID 22999184) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
PubChem CID22999184
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCCBr
InChIInChI=1S/C10H10Br2O3/c1-14-9-5-7(6-13)4-8(12)10(9)15-3-2-11/h4-6H,2-3H2,1H3
InChIKeyZIPCYIVULKGFCU-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.04
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

4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
3-bromo-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 20985728
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
CID 86075409
3-bromo-4-(2-hydroxybutoxy)-5-methoxybenzaldehyde
CID 60886226
3-bromo-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 2219723
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-bromo-4-(3-ethoxy-2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 63931761
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzaldehyde
CID 102881304

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde (CID 22999184) is 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde is COc1cc(C=O)cc(Br)c1OCCBr.
What is the InChIKey of 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde?
The InChIKey is ZIPCYIVULKGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-14-9-5-7(6-13)4-8(12)10(9)15-3-2-11/h4-6H,2-3H2,1H3.
What are the key properties of 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde?
3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde has a molecular weight of 338.00 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-bromoethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 22999184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).