4-(3-fluoro-4-hydroxyphenyl)but-3-enal

C10H9FO2 — CID 170481448

IUPAC4-(3-fluoro-4-hydroxyphenyl)but-3-enal
SMILESO=CCC=Cc1ccc(O)c(F)c1
InChIInChI=1S/C10H9FO2/c11-9-7-8(3-1-2-6-12)4-5-10(9)13/h1,3-7,13H,2H2
InChIKeyJOYFRGNQMWUBLN-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.13
Rot. Bonds3

About 4-(3-fluoro-4-hydroxyphenyl)but-3-enal

4-(3-fluoro-4-hydroxyphenyl)but-3-enal (PubChem CID 170481448) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)but-3-enal.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)but-3-enal
PubChem CID170481448
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)but-3-enal
SMILESO=CCC=Cc1ccc(O)c(F)c1
InChIInChI=1S/C10H9FO2/c11-9-7-8(3-1-2-6-12)4-5-10(9)13/h1,3-7,13H,2H2
InChIKeyJOYFRGNQMWUBLN-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-fluoro-4-hydroxyphenyl)but-3-enal 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

4-[3-fluoro-4-(hydroxymethyl)phenyl]but-3-enal
CID 170481758
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
CID 169473192
2-hydroxy-4-(4-oxobut-1-enyl)benzaldehyde
CID 170481714
2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
4-(4-acetyl-3-hydroxyphenyl)but-3-enal
CID 170482122
2,6-difluoro-4-(4-oxobut-1-enyl)benzoic acid
CID 170482401
4-(3-hydroxy-4-nitrophenyl)but-3-enal
CID 170482322
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
4-(4-oxobut-1-enyl)benzaldehyde
CID 170481464
4-(6-fluoro-3-pyridinyl)but-3-enal
CID 170481333
4-(2,6-dihydroxyphenyl)but-3-enal
CID 170481439

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)but-3-enal?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)but-3-enal (CID 170481448) is 4-(3-fluoro-4-hydroxyphenyl)but-3-enal.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)but-3-enal?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)but-3-enal is O=CCC=Cc1ccc(O)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)but-3-enal?
The InChIKey is JOYFRGNQMWUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-7-8(3-1-2-6-12)4-5-10(9)13/h1,3-7,13H,2H2.
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)but-3-enal?
4-(3-fluoro-4-hydroxyphenyl)but-3-enal has a molecular weight of 180.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxyphenyl)but-3-enal is sourced from PubChem (CID 170481448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).