2-(5-fluoro-2-hydroxyphenyl)acetaldehyde

C8H7FO2 — CID 87254004

IUPAC2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cc(F)ccc1O
InChIInChI=1S/C8H7FO2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-2,4-5,11H,3H2
InChIKeyARMNVUXORGOBRE-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.27
Rot. Bonds2

About 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde

2-(5-fluoro-2-hydroxyphenyl)acetaldehyde (PubChem CID 87254004) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
PubChem CID87254004
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cc(F)ccc1O
InChIInChI=1S/C8H7FO2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-2,4-5,11H,3H2
InChIKeyARMNVUXORGOBRE-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.27
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

2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(5-fluoro-2-sulfanylphenyl)acetaldehyde
CID 87632015
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
CID 53403700
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid
CID 19857297
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
CID 83876007
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
2-(aminooxymethyl)-4-fluorophenol
CID 117276071
2-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]acetaldehyde
CID 83885042

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde (CID 87254004) is 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde is O=CCc1cc(F)ccc1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is ARMNVUXORGOBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-2,4-5,11H,3H2.
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde?
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 154.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 87254004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).