5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde

C13H8ClFO2 — CID 53220476

IUPAC5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2ccc(F)c(Cl)c2)ccc1O
InChIInChI=1S/C13H8ClFO2/c14-11-6-9(1-3-12(11)15)8-2-4-13(17)10(5-8)7-16/h1-7,17H
InChIKeyPVQGXFVWTBOZJZ-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.66
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde

5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde (PubChem CID 53220476) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
PubChem CID53220476
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2ccc(F)c(Cl)c2)ccc1O
InChIInChI=1S/C13H8ClFO2/c14-11-6-9(1-3-12(11)15)8-2-4-13(17)10(5-8)7-16/h1-7,17H
InChIKeyPVQGXFVWTBOZJZ-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.66
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 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde (CID 53220476) is 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde is O=Cc1cc(-c2ccc(F)c(Cl)c2)ccc1O.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde?
The InChIKey is PVQGXFVWTBOZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-11-6-9(1-3-12(11)15)8-2-4-13(17)10(5-8)7-16/h1-7,17H.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde?
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde has a molecular weight of 250.66 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).