3-(2-fluoro-5-hydroxyphenyl)propanal

C9H9FO2 — CID 117276583

IUPAC3-(2-fluoro-5-hydroxyphenyl)propanal
SMILESO=CCCc1cc(O)ccc1F
InChIInChI=1S/C9H9FO2/c10-9-4-3-8(12)6-7(9)2-1-5-11/h3-6,12H,1-2H2
InChIKeyXBIAHHUEQOYQSR-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-fluoro-5-hydroxyphenyl)propanal

3-(2-fluoro-5-hydroxyphenyl)propanal (PubChem CID 117276583) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-(2-fluoro-5-hydroxyphenyl)propanal.

Molecular Properties

Compound Name3-(2-fluoro-5-hydroxyphenyl)propanal
PubChem CID117276583
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name3-(2-fluoro-5-hydroxyphenyl)propanal
SMILESO=CCCc1cc(O)ccc1F
InChIInChI=1S/C9H9FO2/c10-9-4-3-8(12)6-7(9)2-1-5-11/h3-6,12H,1-2H2
InChIKeyXBIAHHUEQOYQSR-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.66
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-(2-fluoro-5-methylsulfanylphenyl)propanal
CID 117117792
3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
CID 134621127
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
3-(2,3,4-trifluorophenyl)propanal
CID 22669156
3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
3-(5-fluoro-2-hydroxy-4-methylphenyl)propanal
CID 117279085
3-(4-fluoro-2,3-dimethylphenyl)propanal
CID 88680004
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117294882
3-(2-hydroxy-4,5-dimethylphenyl)propanal
CID 117277791
3-[2,4-difluoro-3-(methoxymethyl)phenyl]propanal
CID 117305242

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-hydroxyphenyl)propanal?
The IUPAC name of 3-(2-fluoro-5-hydroxyphenyl)propanal (CID 117276583) is 3-(2-fluoro-5-hydroxyphenyl)propanal.
What is the SMILES notation for 3-(2-fluoro-5-hydroxyphenyl)propanal?
The canonical SMILES for 3-(2-fluoro-5-hydroxyphenyl)propanal is O=CCCc1cc(O)ccc1F.
What is the InChIKey of 3-(2-fluoro-5-hydroxyphenyl)propanal?
The InChIKey is XBIAHHUEQOYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-9-4-3-8(12)6-7(9)2-1-5-11/h3-6,12H,1-2H2.
What are the key properties of 3-(2-fluoro-5-hydroxyphenyl)propanal?
3-(2-fluoro-5-hydroxyphenyl)propanal has a molecular weight of 168.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-hydroxyphenyl)propanal is sourced from PubChem (CID 117276583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).