3,5-dichloro-4-methoxybenzaldehyde

C8H6Cl2O2 — CID 883207

IUPAC3,5-dichloro-4-methoxybenzaldehyde
SMILESCOc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChIKeyLEEKELDJRCUBEM-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.81
Rot. Bonds2

About 3,5-dichloro-4-methoxybenzaldehyde

3,5-dichloro-4-methoxybenzaldehyde (PubChem CID 883207) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-methoxybenzaldehyde
PubChem CID883207
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name3,5-dichloro-4-methoxybenzaldehyde
SMILESCOc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChIKeyLEEKELDJRCUBEM-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.81
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-methoxybenzaldehyde?
The IUPAC name of 3,5-dichloro-4-methoxybenzaldehyde (CID 883207) is 3,5-dichloro-4-methoxybenzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-methoxybenzaldehyde?
The canonical SMILES for 3,5-dichloro-4-methoxybenzaldehyde is COc1c(Cl)cc(C=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxybenzaldehyde?
The InChIKey is LEEKELDJRCUBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3.
What are the key properties of 3,5-dichloro-4-methoxybenzaldehyde?
3,5-dichloro-4-methoxybenzaldehyde has a molecular weight of 205.04 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxybenzaldehyde is sourced from PubChem (CID 883207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).