4-(3-fluorophenyl)-2-hydroxybenzaldehyde

C13H9FO2 — CID 53220290

IUPAC4-(3-fluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C13H9FO2/c14-12-3-1-2-9(6-12)10-4-5-11(8-15)13(16)7-10/h1-8,16H
InChIKeyBIEZCWCLAAXLIB-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.01
Rot. Bonds2

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

4-(3-fluorophenyl)-2-hydroxybenzaldehyde (PubChem CID 53220290) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-hydroxybenzaldehyde
PubChem CID53220290
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name4-(3-fluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C13H9FO2/c14-12-3-1-2-9(6-12)10-4-5-11(8-15)13(16)7-10/h1-8,16H
InChIKeyBIEZCWCLAAXLIB-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.01
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 4-(3-fluorophenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(3-fluorophenyl)-2-hydroxybenzaldehyde (CID 53220290) is 4-(3-fluorophenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(3-fluorophenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(3-fluorophenyl)-2-hydroxybenzaldehyde is O=Cc1ccc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 4-(3-fluorophenyl)-2-hydroxybenzaldehyde?
The InChIKey is BIEZCWCLAAXLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2/c14-12-3-1-2-9(6-12)10-4-5-11(8-15)13(16)7-10/h1-8,16H.
What are the key properties of 4-(3-fluorophenyl)-2-hydroxybenzaldehyde?
4-(3-fluorophenyl)-2-hydroxybenzaldehyde has a molecular weight of 216.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).