3-(3-fluoro-2,4-dihydroxyphenyl)propanal

C9H9FO3 — CID 117279746

IUPAC3-(3-fluoro-2,4-dihydroxyphenyl)propanal
SMILESO=CCCc1ccc(O)c(F)c1O
InChIInChI=1S/C9H9FO3/c10-8-7(12)4-3-6(9(8)13)2-1-5-11/h3-5,12-13H,1-2H2
InChIKeyWZHTWLNWRDXYDR-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.37
Rot. Bonds3

About 3-(3-fluoro-2,4-dihydroxyphenyl)propanal

3-(3-fluoro-2,4-dihydroxyphenyl)propanal (PubChem CID 117279746) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-(3-fluoro-2,4-dihydroxyphenyl)propanal.

Molecular Properties

Compound Name3-(3-fluoro-2,4-dihydroxyphenyl)propanal
PubChem CID117279746
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name3-(3-fluoro-2,4-dihydroxyphenyl)propanal
SMILESO=CCCc1ccc(O)c(F)c1O
InChIInChI=1S/C9H9FO3/c10-8-7(12)4-3-6(9(8)13)2-1-5-11/h3-5,12-13H,1-2H2
InChIKeyWZHTWLNWRDXYDR-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-2,4-dihydroxyphenyl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-3-fluoro-4-hydroxyphenyl)propanal
CID 88734115
3-(3-bromo-2-fluoro-4-hydroxyphenyl)propanal
CID 117369384
2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
CID 117276910
3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
CID 117287722
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
3-(2,3,4-trifluorophenyl)propanal
CID 22669156
3-(4-hydroxynaphthalen-1-yl)propanal
CID 144651527
3-(2-fluoro-5-hydroxyphenyl)propanal
CID 117276583
3-(5-bromo-4-fluoro-2,3-dihydroxyphenyl)propanal
CID 117411632
3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
CID 134621601
3-(7-fluoro-6-hydroxy-1,3-benzodioxol-5-yl)propanal
CID 117302558

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2,4-dihydroxyphenyl)propanal?
The IUPAC name of 3-(3-fluoro-2,4-dihydroxyphenyl)propanal (CID 117279746) is 3-(3-fluoro-2,4-dihydroxyphenyl)propanal.
What is the SMILES notation for 3-(3-fluoro-2,4-dihydroxyphenyl)propanal?
The canonical SMILES for 3-(3-fluoro-2,4-dihydroxyphenyl)propanal is O=CCCc1ccc(O)c(F)c1O.
What is the InChIKey of 3-(3-fluoro-2,4-dihydroxyphenyl)propanal?
The InChIKey is WZHTWLNWRDXYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-8-7(12)4-3-6(9(8)13)2-1-5-11/h3-5,12-13H,1-2H2.
What are the key properties of 3-(3-fluoro-2,4-dihydroxyphenyl)propanal?
3-(3-fluoro-2,4-dihydroxyphenyl)propanal has a molecular weight of 184.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2,4-dihydroxyphenyl)propanal is sourced from PubChem (CID 117279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).