2-(2,5-dichlorophenyl)benzaldehyde

C13H8Cl2O — CID 58037863

IUPAC2-(2,5-dichlorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2O/c14-10-5-6-13(15)12(7-10)11-4-2-1-3-9(11)8-16/h1-8H
InChIKeyHAPMAIALZRVODC-UHFFFAOYSA-N
MW251.11 g/mol
LogP4.47
Rot. Bonds2

About 2-(2,5-dichlorophenyl)benzaldehyde

2-(2,5-dichlorophenyl)benzaldehyde (PubChem CID 58037863) has the molecular formula C13H8Cl2O and a molecular weight of 251.11 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)benzaldehyde
PubChem CID58037863
Molecular FormulaC13H8Cl2O
Molecular Weight251.11 g/mol
Exact Mass250.00
IUPAC Name2-(2,5-dichlorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl2O/c14-10-5-6-13(15)12(7-10)11-4-2-1-3-9(11)8-16/h1-8H
InChIKeyHAPMAIALZRVODC-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
4-chloro-5-(2-chlorophenyl)-2-hydroxybenzaldehyde
CID 145048893
2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
CID 89391837
2-(2-phenylphenyl)benzaldehyde
CID 11322869
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552
2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119012819
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-(2,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133091145

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)benzaldehyde?
The IUPAC name of 2-(2,5-dichlorophenyl)benzaldehyde (CID 58037863) is 2-(2,5-dichlorophenyl)benzaldehyde.
What is the SMILES notation for 2-(2,5-dichlorophenyl)benzaldehyde?
The canonical SMILES for 2-(2,5-dichlorophenyl)benzaldehyde is O=Cc1ccccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)benzaldehyde?
The InChIKey is HAPMAIALZRVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O/c14-10-5-6-13(15)12(7-10)11-4-2-1-3-9(11)8-16/h1-8H.
What are the key properties of 2-(2,5-dichlorophenyl)benzaldehyde?
2-(2,5-dichlorophenyl)benzaldehyde has a molecular weight of 251.11 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)benzaldehyde is sourced from PubChem (CID 58037863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).