2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate

C11H10FO3- — CID 19857313

IUPAC2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate
SMILESC=CCc1cc(CC(=O)[O-])cc(F)c1O
InChIInChI=1S/C11H11FO3/c1-2-3-8-4-7(6-10(13)14)5-9(12)11(8)15/h2,4-5,15H,1,3,6H2,(H,13,14)/p-1
InChIKeyIVUDZINUNVMMAR-UHFFFAOYSA-M
MW209.20 g/mol
LogP0.55
Rot. Bonds4

About 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate

2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate (PubChem CID 19857313) has the molecular formula C11H10FO3- and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate
PubChem CID19857313
Molecular FormulaC11H10FO3-
Molecular Weight209.20 g/mol
Exact Mass209.06
IUPAC Name2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate
SMILESC=CCc1cc(CC(=O)[O-])cc(F)c1O
InChIInChI=1S/C11H11FO3/c1-2-3-8-4-7(6-10(13)14)5-9(12)11(8)15/h2,4-5,15H,1,3,6H2,(H,13,14)/p-1
InChIKeyIVUDZINUNVMMAR-UHFFFAOYSA-M
XLogP0.55
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate 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-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
4-hydroxy-3,5-bis(prop-2-enyl)benzamide
CID 70425276
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
methyl 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 54045829
2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol
CID 101178100
[3-[3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoyloxy]-2,2-bis[3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoyloxymethyl]propyl] 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 88637919
2,4,5-tris(prop-2-enyl)phenol
CID 20562879

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate?
The IUPAC name of 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate (CID 19857313) is 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate.
What is the SMILES notation for 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate?
The canonical SMILES for 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate is C=CCc1cc(CC(=O)[O-])cc(F)c1O.
What is the InChIKey of 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate?
The InChIKey is IVUDZINUNVMMAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11FO3/c1-2-3-8-4-7(6-10(13)14)5-9(12)11(8)15/h2,4-5,15H,1,3,6H2,(H,13,14)/p-1.
What are the key properties of 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate?
2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate has a molecular weight of 209.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate is sourced from PubChem (CID 19857313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).