3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde

C13H7Cl2FO2 — CID 86608680

IUPAC3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-3-9(10(15)5-8)12-11(16)4-1-7(6-17)13(12)18/h1-6,18H
InChIKeyXQMPMFHIKPCLAV-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.32
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde

3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde (PubChem CID 86608680) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
PubChem CID86608680
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-3-9(10(15)5-8)12-11(16)4-1-7(6-17)13(12)18/h1-6,18H
InChIKeyXQMPMFHIKPCLAV-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.32
H-Bond Donors ≤ 51
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-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde (CID 86608680) is 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde is O=Cc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde?
The InChIKey is XQMPMFHIKPCLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-8-2-3-9(10(15)5-8)12-11(16)4-1-7(6-17)13(12)18/h1-6,18H.
What are the key properties of 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde?
3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde has a molecular weight of 285.10 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 86608680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).