2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde

C11H12Cl2O4 — CID 19833378

IUPAC2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde
SMILESCOCCOCOc1cc(Cl)c(Cl)c(C=O)c1
InChIInChI=1S/C11H12Cl2O4/c1-15-2-3-16-7-17-9-4-8(6-14)11(13)10(12)5-9/h4-6H,2-3,7H2,1H3
InChIKeyBRCHZDWGMUCXAP-UHFFFAOYSA-N
MW279.12 g/mol
LogP2.81
Rot. Bonds7

About 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde

2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde (PubChem CID 19833378) has the molecular formula C11H12Cl2O4 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde
PubChem CID19833378
Molecular FormulaC11H12Cl2O4
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Name2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde
SMILESCOCCOCOc1cc(Cl)c(Cl)c(C=O)c1
InChIInChI=1S/C11H12Cl2O4/c1-15-2-3-16-7-17-9-4-8(6-14)11(13)10(12)5-9/h4-6H,2-3,7H2,1H3
InChIKeyBRCHZDWGMUCXAP-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde?
The IUPAC name of 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde (CID 19833378) is 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde.
What is the SMILES notation for 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde?
The canonical SMILES for 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde is COCCOCOc1cc(Cl)c(Cl)c(C=O)c1.
What is the InChIKey of 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde?
The InChIKey is BRCHZDWGMUCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O4/c1-15-2-3-16-7-17-9-4-8(6-14)11(13)10(12)5-9/h4-6H,2-3,7H2,1H3.
What are the key properties of 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde?
2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde has a molecular weight of 279.12 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde is sourced from PubChem (CID 19833378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).