3-(3,5-dichlorophenyl)benzaldehyde

C13H8Cl2O — CID 2758152

IUPAC3-(3,5-dichlorophenyl)benzaldehyde
SMILESO=Cc1cccc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-8H
InChIKeyNYQHTXXDYQXIAM-UHFFFAOYSA-N
MW251.11 g/mol
LogP4.47
Rot. Bonds2

About 3-(3,5-dichlorophenyl)benzaldehyde

3-(3,5-dichlorophenyl)benzaldehyde (PubChem CID 2758152) has the molecular formula C13H8Cl2O and a molecular weight of 251.11 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)benzaldehyde.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)benzaldehyde
PubChem CID2758152
Molecular FormulaC13H8Cl2O
Molecular Weight251.11 g/mol
Exact Mass250.00
IUPAC Name3-(3,5-dichlorophenyl)benzaldehyde
SMILESO=Cc1cccc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-8H
InChIKeyNYQHTXXDYQXIAM-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

3-chloro-5-naphthalen-2-ylbenzaldehyde
CID 122475980
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785
3-(3,4-diaminophenyl)benzaldehyde
CID 154095647
3-(4-chloro-3-nitrophenyl)benzaldehyde
CID 82039643
3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
CID 172653719
3-(3-amino-5-methylphenyl)benzaldehyde
CID 165490031
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
3-(4-nitrophenyl)benzaldehyde
CID 46193459
[4-(3-formylphenyl)phenyl]boronic acid
CID 23005401
3-pyrimidin-2-ylbenzaldehyde
CID 22630818
benzene-1,3-dicarbaldehyde;ethane
CID 91375977

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)benzaldehyde?
The IUPAC name of 3-(3,5-dichlorophenyl)benzaldehyde (CID 2758152) is 3-(3,5-dichlorophenyl)benzaldehyde.
What is the SMILES notation for 3-(3,5-dichlorophenyl)benzaldehyde?
The canonical SMILES for 3-(3,5-dichlorophenyl)benzaldehyde is O=Cc1cccc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)benzaldehyde?
The InChIKey is NYQHTXXDYQXIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-8H.
What are the key properties of 3-(3,5-dichlorophenyl)benzaldehyde?
3-(3,5-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 3-(3,5-dichlorophenyl)benzaldehyde is sourced from PubChem (CID 2758152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).