2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid

C9H7FO3 — CID 70352167

IUPAC2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
SMILESO=C(O)C(=CO)c1ccc(F)cc1
InChIInChI=1S/C9H7FO3/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-5,11H,(H,12,13)
InChIKeyGJTNQNZRDKHKRD-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid

2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid (PubChem CID 70352167) has the molecular formula C9H7FO3 and a molecular weight of 182.15 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
PubChem CID70352167
Molecular FormulaC9H7FO3
Molecular Weight182.15 g/mol
Exact Mass182.04
IUPAC Name2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
SMILESO=C(O)C(=CO)c1ccc(F)cc1
InChIInChI=1S/C9H7FO3/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-5,11H,(H,12,13)
InChIKeyGJTNQNZRDKHKRD-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenyl)-3-hydroxyprop-2-enoyl]azanium
CID 163849834
2-(4-fluorophenyl)-4-oxopent-2-enoic acid
CID 142782295
methyl (Z)-2-(4-fluorophenyl)-3-hydroxyprop-2-enoate
CID 67828382
(Z)-3-(3-fluorophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83952444
(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 5376034
(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
CID 91998911
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
(E)-4-(4-fluorophenyl)hex-4-en-3-one
CID 154714595
1-(4-fluorophenyl)-4-hydroxy-3,4-dioxobut-1-en-1-olate
CID 54720835
(4-fluorophenyl)-phenylmethanone
CID 161464622
(E)-but-2-enedioic acid;4-fluorobenzamide
CID 69010186
2-fluoro-3-(4-fluorophenyl)but-2-enoic acid
CID 79729079

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid (CID 70352167) is 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid is O=C(O)C(=CO)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid?
The InChIKey is GJTNQNZRDKHKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-5,11H,(H,12,13).
What are the key properties of 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid?
2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid has a molecular weight of 182.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid is sourced from PubChem (CID 70352167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).