3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid

C10H9FO4 — CID 175687198

IUPAC3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
SMILESCOc1ccc(C=C(O)C(=O)O)cc1F
InChIInChI=1S/C10H9FO4/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-5,12H,1H3,(H,13,14)
InChIKeyJSPDNGNMIKTUDW-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.82
Rot. Bonds3

About 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid

3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid (PubChem CID 175687198) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
PubChem CID175687198
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
SMILESCOc1ccc(C=C(O)C(=O)O)cc1F
InChIInChI=1S/C10H9FO4/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-5,12H,1H3,(H,13,14)
InChIKeyJSPDNGNMIKTUDW-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
CID 75360951
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
3-(4-fluoro-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 123625955
4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
CID 79323277
(2E,3E)-2,3-bis[(4-methoxy-3-methylphenyl)methylidene]butanedioic acid
CID 10339857
2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 82281962
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
(E)-2-[[2-(2-diphenylphosphanylphenyl)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 175247603
(E)-N-benzyl-2-cyano-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 31389237
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid (CID 175687198) is 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid is COc1ccc(C=C(O)C(=O)O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid?
The InChIKey is JSPDNGNMIKTUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-5,12H,1H3,(H,13,14).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid?
3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid has a molecular weight of 212.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 175687198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).