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

C10H9FO3 — CID 82281962

IUPAC2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H9FO3/c1-6(10(12)13)7-3-4-9(14-2)8(11)5-7/h3-5H,1H2,2H3,(H,12,13)
InChIKeyDCRJDAZKUODFJB-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.93
Rot. Bonds3

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

2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid (PubChem CID 82281962) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
PubChem CID82281962
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H9FO3/c1-6(10(12)13)7-3-4-9(14-2)8(11)5-7/h3-5H,1H2,2H3,(H,12,13)
InChIKeyDCRJDAZKUODFJB-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
3-fluoro-4-methoxybenzoate
CID 4251674
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene
CID 174166098
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
2-(3-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 19830824
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
CID 175687198
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid (CID 82281962) is 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid is C=C(C(=O)O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is DCRJDAZKUODFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-6(10(12)13)7-3-4-9(14-2)8(11)5-7/h3-5H,1H2,2H3,(H,12,13).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 196.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 82281962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).