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

C9H9FO2 — CID 117276587

IUPAC3-(3-fluoro-2-hydroxyphenyl)propanal
SMILESO=CCCc1cccc(F)c1O
InChIInChI=1S/C9H9FO2/c10-8-5-1-3-7(9(8)12)4-2-6-11/h1,3,5-6,12H,2,4H2
InChIKeyDRJOMKRDGFPGKK-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.66
Rot. Bonds3

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

3-(3-fluoro-2-hydroxyphenyl)propanal (PubChem CID 117276587) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-(3-fluoro-2-hydroxyphenyl)propanal.

Molecular Properties

Compound Name3-(3-fluoro-2-hydroxyphenyl)propanal
PubChem CID117276587
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name3-(3-fluoro-2-hydroxyphenyl)propanal
SMILESO=CCCc1cccc(F)c1O
InChIInChI=1S/C9H9FO2/c10-8-5-1-3-7(9(8)12)4-2-6-11/h1,3,5-6,12H,2,4H2
InChIKeyDRJOMKRDGFPGKK-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-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
CID 134621601
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
2-methylpropyl 3-(3-fluoro-2-hydroxyphenyl)propanoate
CID 167520753
3-[3-fluoro-2-(1-fluoroethyl)phenyl]propanal
CID 117287739
2-(bromomethyl)-6-fluorophenol
CID 86086661
2-fluoro-6-(nitrosomethyl)phenol
CID 91467054
3-(2-fluoro-5-hydroxyphenyl)propanal
CID 117276583
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112
3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
CID 117287722

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-hydroxyphenyl)propanal?
The IUPAC name of 3-(3-fluoro-2-hydroxyphenyl)propanal (CID 117276587) is 3-(3-fluoro-2-hydroxyphenyl)propanal.
What is the SMILES notation for 3-(3-fluoro-2-hydroxyphenyl)propanal?
The canonical SMILES for 3-(3-fluoro-2-hydroxyphenyl)propanal is O=CCCc1cccc(F)c1O.
What is the InChIKey of 3-(3-fluoro-2-hydroxyphenyl)propanal?
The InChIKey is DRJOMKRDGFPGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-8-5-1-3-7(9(8)12)4-2-6-11/h1,3,5-6,12H,2,4H2.
What are the key properties of 3-(3-fluoro-2-hydroxyphenyl)propanal?
3-(3-fluoro-2-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-(3-fluoro-2-hydroxyphenyl)propanal is sourced from PubChem (CID 117276587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).