3-(3,5-dichlorophenoxy)benzaldehyde

C13H8Cl2O2 — CID 688050

IUPAC3-(3,5-dichlorophenoxy)benzaldehyde
SMILESO=Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
InChIKeyBISWHYILBVQCRA-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.60
Rot. Bonds3

About 3-(3,5-dichlorophenoxy)benzaldehyde

3-(3,5-dichlorophenoxy)benzaldehyde (PubChem CID 688050) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)benzaldehyde
PubChem CID688050
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name3-(3,5-dichlorophenoxy)benzaldehyde
SMILESO=Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
InChIKeyBISWHYILBVQCRA-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 54.60
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-(3,5-dichlorophenoxy)benzaldehyde?
The IUPAC name of 3-(3,5-dichlorophenoxy)benzaldehyde (CID 688050) is 3-(3,5-dichlorophenoxy)benzaldehyde.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)benzaldehyde?
The canonical SMILES for 3-(3,5-dichlorophenoxy)benzaldehyde is O=Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenoxy)benzaldehyde?
The InChIKey is BISWHYILBVQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H.
What are the key properties of 3-(3,5-dichlorophenoxy)benzaldehyde?
3-(3,5-dichlorophenoxy)benzaldehyde has a molecular weight of 267.11 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)benzaldehyde is sourced from PubChem (CID 688050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).