3,5-dichloro-4-ethoxybenzaldehyde

C9H8Cl2O2 — CID 880269

IUPAC3,5-dichloro-4-ethoxybenzaldehyde
SMILESCCOc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3
InChIKeyRREIHDZMWHOPJY-UHFFFAOYSA-N
MW219.07 g/mol
LogP3.20
Rot. Bonds3

About 3,5-dichloro-4-ethoxybenzaldehyde

3,5-dichloro-4-ethoxybenzaldehyde (PubChem CID 880269) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxybenzaldehyde
PubChem CID880269
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name3,5-dichloro-4-ethoxybenzaldehyde
SMILESCCOc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3
InChIKeyRREIHDZMWHOPJY-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethoxybenzaldehyde?
The IUPAC name of 3,5-dichloro-4-ethoxybenzaldehyde (CID 880269) is 3,5-dichloro-4-ethoxybenzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-ethoxybenzaldehyde?
The canonical SMILES for 3,5-dichloro-4-ethoxybenzaldehyde is CCOc1c(Cl)cc(C=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-ethoxybenzaldehyde?
The InChIKey is RREIHDZMWHOPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3.
What are the key properties of 3,5-dichloro-4-ethoxybenzaldehyde?
3,5-dichloro-4-ethoxybenzaldehyde has a molecular weight of 219.07 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxybenzaldehyde is sourced from PubChem (CID 880269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).