2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde

C10H10Br2O3 — CID 19578166

IUPAC2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
SMILESCCOc1c(OC)cc(C=O)c(Br)c1Br
InChIInChI=1S/C10H10Br2O3/c1-3-15-10-7(14-2)4-6(5-13)8(11)9(10)12/h4-5H,3H2,1-2H3
InChIKeyOVWORKZNYMQUCU-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.43
Rot. Bonds4

About 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde

2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde (PubChem CID 19578166) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
PubChem CID19578166
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
SMILESCCOc1c(OC)cc(C=O)c(Br)c1Br
InChIInChI=1S/C10H10Br2O3/c1-3-15-10-7(14-2)4-6(5-13)8(11)9(10)12/h4-5H,3H2,1-2H3
InChIKeyOVWORKZNYMQUCU-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 141140359
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
5-bromo-2,3-diethoxybenzaldehyde
CID 100582069
2-bromo-3,4,5-trimethoxybenzaldehyde;1,1-dimethoxyethane
CID 88526505
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
2-bromo-4-butoxy-5-ethoxybenzaldehyde
CID 19578043
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
5-ethoxy-2-methoxy-4-(trifluoromethyl)benzaldehyde
CID 171417410
3-bromo-5-chloro-2-ethoxybenzaldehyde
CID 22134786
3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 705633

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde?
The IUPAC name of 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde (CID 19578166) is 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde is CCOc1c(OC)cc(C=O)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde?
The InChIKey is OVWORKZNYMQUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-3-15-10-7(14-2)4-6(5-13)8(11)9(10)12/h4-5H,3H2,1-2H3.
What are the key properties of 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde?
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde has a molecular weight of 338.00 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde is sourced from PubChem (CID 19578166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).