3,5-dichloro-4-hydroxybenzaldehyde

C7H4Cl2O2 — CID 16839

IUPAC3,5-dichloro-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKeyLIYGCLJYTHRBQV-UHFFFAOYSA-N
MW191.01 g/mol
LogP2.51
Rot. Bonds1

About 3,5-dichloro-4-hydroxybenzaldehyde

3,5-dichloro-4-hydroxybenzaldehyde (PubChem CID 16839) has the molecular formula C7H4Cl2O2 and a molecular weight of 191.01 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxybenzaldehyde
PubChem CID16839
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01 g/mol
Exact Mass189.96
IUPAC Name3,5-dichloro-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKeyLIYGCLJYTHRBQV-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.01
LogP ≤ 52.51
H-Bond Donors ≤ 51
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-hydroxybenzaldehyde?
The IUPAC name of 3,5-dichloro-4-hydroxybenzaldehyde (CID 16839) is 3,5-dichloro-4-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-hydroxybenzaldehyde?
The canonical SMILES for 3,5-dichloro-4-hydroxybenzaldehyde is O=Cc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-hydroxybenzaldehyde?
The InChIKey is LIYGCLJYTHRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H.
What are the key properties of 3,5-dichloro-4-hydroxybenzaldehyde?
3,5-dichloro-4-hydroxybenzaldehyde has a molecular weight of 191.01 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxybenzaldehyde is sourced from PubChem (CID 16839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).