4-chloro-3-(3-chlorophenoxy)benzaldehyde

C13H8Cl2O2 — CID 170985401

IUPAC4-chloro-3-(3-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(7-10)17-13-6-9(8-16)4-5-12(13)15/h1-8H
InChIKeyGPYTVGSMCUOLBG-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-3-(3-chlorophenoxy)benzaldehyde

4-chloro-3-(3-chlorophenoxy)benzaldehyde (PubChem CID 170985401) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 4-chloro-3-(3-chlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-3-(3-chlorophenoxy)benzaldehyde
PubChem CID170985401
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name4-chloro-3-(3-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(7-10)17-13-6-9(8-16)4-5-12(13)15/h1-8H
InChIKeyGPYTVGSMCUOLBG-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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Related Compounds

3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-(3-chlorophenoxy)-3-methoxybenzaldehyde
CID 141471481
3-(2,4,5-trichlorophenoxy)benzaldehyde
CID 63942666
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
1,2,3-trichloro-4-(3-chlorophenoxy)benzene
CID 23274712
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635
3-chloro-4-(3-nitrophenoxy)benzaldehyde
CID 81151682
3-(5-chloro-2-nitrophenoxy)benzaldehyde
CID 63944247
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-chlorophenoxy)benzaldehyde?
The IUPAC name of 4-chloro-3-(3-chlorophenoxy)benzaldehyde (CID 170985401) is 4-chloro-3-(3-chlorophenoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-3-(3-chlorophenoxy)benzaldehyde?
The canonical SMILES for 4-chloro-3-(3-chlorophenoxy)benzaldehyde is O=Cc1ccc(Cl)c(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 4-chloro-3-(3-chlorophenoxy)benzaldehyde?
The InChIKey is GPYTVGSMCUOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(7-10)17-13-6-9(8-16)4-5-12(13)15/h1-8H.
What are the key properties of 4-chloro-3-(3-chlorophenoxy)benzaldehyde?
4-chloro-3-(3-chlorophenoxy)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 4-chloro-3-(3-chlorophenoxy)benzaldehyde is sourced from PubChem (CID 170985401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).