3-(4-fluorophenyl)-5-hydroxybenzaldehyde

C13H9FO2 — CID 165437487

IUPAC3-(4-fluorophenyl)-5-hydroxybenzaldehyde
SMILESO=Cc1cc(O)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9FO2/c14-12-3-1-10(2-4-12)11-5-9(8-15)6-13(16)7-11/h1-8,16H
InChIKeyJMSYMFXNGXQCOT-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.01
Rot. Bonds2

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

3-(4-fluorophenyl)-5-hydroxybenzaldehyde (PubChem CID 165437487) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-hydroxybenzaldehyde
PubChem CID165437487
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name3-(4-fluorophenyl)-5-hydroxybenzaldehyde
SMILESO=Cc1cc(O)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9FO2/c14-12-3-1-10(2-4-12)11-5-9(8-15)6-13(16)7-11/h1-8,16H
InChIKeyJMSYMFXNGXQCOT-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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Related Compounds

3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
3-(4-but-3-en-2-yloxyphenyl)-5-hydroxybenzaldehyde
CID 123304118
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
3-fluoro-5-phenylbenzaldehyde
CID 122475031
5-[4-[1,2,2-tris[4-(3,5-diformylphenyl)phenyl]ethenyl]phenyl]benzene-1,3-dicarbaldehyde
CID 166638041
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
3-(4-fluorophenyl)-5-hydroxybenzonitrile
CID 53219839
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
[3,5-bis(4-fluorophenyl)phenyl] formate
CID 122549194

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-hydroxybenzaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-5-hydroxybenzaldehyde (CID 165437487) is 3-(4-fluorophenyl)-5-hydroxybenzaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-5-hydroxybenzaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-5-hydroxybenzaldehyde is O=Cc1cc(O)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-hydroxybenzaldehyde?
The InChIKey is JMSYMFXNGXQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2/c14-12-3-1-10(2-4-12)11-5-9(8-15)6-13(16)7-11/h1-8,16H.
What are the key properties of 3-(4-fluorophenyl)-5-hydroxybenzaldehyde?
3-(4-fluorophenyl)-5-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 3-(4-fluorophenyl)-5-hydroxybenzaldehyde is sourced from PubChem (CID 165437487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).