5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde

C14H8Cl2O2 — CID 167311958

IUPAC5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H8Cl2O2/c15-12-1-2-13(14(16)6-12)11-4-9(7-17)3-10(5-11)8-18/h1-8H
InChIKeyCDIJKVJHKJQBLE-UHFFFAOYSA-N
MW279.12 g/mol
LogP4.29
Rot. Bonds3

About 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde

5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde (PubChem CID 167311958) has the molecular formula C14H8Cl2O2 and a molecular weight of 279.12 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde
PubChem CID167311958
Molecular FormulaC14H8Cl2O2
Molecular Weight279.12 g/mol
Exact Mass277.99
IUPAC Name5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H8Cl2O2/c15-12-1-2-13(14(16)6-12)11-4-9(7-17)3-10(5-11)8-18/h1-8H
InChIKeyCDIJKVJHKJQBLE-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 54.29
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

2-chloro-6-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 91871877
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
3-(2-chlorophenyl)-5-fluorobenzaldehyde
CID 166643026
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
5-(2-fluorophenyl)benzene-1,3-dicarbaldehyde
CID 167311950
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
CID 172653719
3-[2-chloro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 173112639
4-chlorobenzaldehyde
CID 7726
2-chloro-5-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 119008873

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde?
The IUPAC name of 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde (CID 167311958) is 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde is O=Cc1cc(C=O)cc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde?
The InChIKey is CDIJKVJHKJQBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O2/c15-12-1-2-13(14(16)6-12)11-4-9(7-17)3-10(5-11)8-18/h1-8H.
What are the key properties of 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde?
5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde has a molecular weight of 279.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 167311958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).