prop-2-enyl 2-fluoro-4-hydroxybenzoate

C10H9FO3 — CID 14852522

IUPACprop-2-enyl 2-fluoro-4-hydroxybenzoate
SMILESC=CCOC(=O)c1ccc(O)cc1F
InChIInChI=1S/C10H9FO3/c1-2-5-14-10(13)8-4-3-7(12)6-9(8)11/h2-4,6,12H,1,5H2
InChIKeyABEYOUKZDKKZJP-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.87
Rot. Bonds3

About prop-2-enyl 2-fluoro-4-hydroxybenzoate

prop-2-enyl 2-fluoro-4-hydroxybenzoate (PubChem CID 14852522) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is prop-2-enyl 2-fluoro-4-hydroxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-fluoro-4-hydroxybenzoate
PubChem CID14852522
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Nameprop-2-enyl 2-fluoro-4-hydroxybenzoate
SMILESC=CCOC(=O)c1ccc(O)cc1F
InChIInChI=1S/C10H9FO3/c1-2-5-14-10(13)8-4-3-7(12)6-9(8)11/h2-4,6,12H,1,5H2
InChIKeyABEYOUKZDKKZJP-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
N-but-3-enyl-2-fluoro-4-hydroxybenzamide
CID 107676829
bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
CID 18996410
4-(4-carboxy-3-prop-2-enoxycarbonylphenyl)-2-prop-2-enoxycarbonylbenzoic acid
CID 139690927
prop-2-enyl 2-acetyl-4-aminobenzoate
CID 70486883
4-amino-2-prop-2-enoxycarbonylbenzoic acid
CID 54562538
prop-2-enyl 5-[[(2R)-2-amino-2-cyanoethoxy]methyl]-2-fluorobenzoate
CID 59089140
prop-2-enyl 2,5-dicarbonochloridoylbenzoate
CID 102277883
prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate
CID 15686890
2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid
CID 83391232
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
4-(3-carboxy-4-prop-2-enoxycarbonylphenoxy)phthalic acid
CID 67815012

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-fluoro-4-hydroxybenzoate?
The IUPAC name of prop-2-enyl 2-fluoro-4-hydroxybenzoate (CID 14852522) is prop-2-enyl 2-fluoro-4-hydroxybenzoate.
What is the SMILES notation for prop-2-enyl 2-fluoro-4-hydroxybenzoate?
The canonical SMILES for prop-2-enyl 2-fluoro-4-hydroxybenzoate is C=CCOC(=O)c1ccc(O)cc1F.
What is the InChIKey of prop-2-enyl 2-fluoro-4-hydroxybenzoate?
The InChIKey is ABEYOUKZDKKZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-2-5-14-10(13)8-4-3-7(12)6-9(8)11/h2-4,6,12H,1,5H2.
What are the key properties of prop-2-enyl 2-fluoro-4-hydroxybenzoate?
prop-2-enyl 2-fluoro-4-hydroxybenzoate has a molecular weight of 196.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-fluoro-4-hydroxybenzoate is sourced from PubChem (CID 14852522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).