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

C10H9FO3 — CID 92855049

IUPAC(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C\C(=O)O)cc1F
InChIInChI=1S/C10H9FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3-
InChIKeyVKZYEBQHWQTZKA-HYXAFXHYSA-N
MW196.18 g/mol
LogP1.93
Rot. Bonds3

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

(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid (PubChem CID 92855049) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
PubChem CID92855049
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C\C(=O)O)cc1F
InChIInChI=1S/C10H9FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3-
InChIKeyVKZYEBQHWQTZKA-HYXAFXHYSA-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

5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
CID 54706233
(E)-3-[4-(fluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 168908115
(E)-3-(3-methoxy-4-sulfanyloxyphenyl)prop-2-enoic acid
CID 145055482
3-(3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 123194218
(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
CID 75360951
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
(E)-3-(4-butan-2-yloxy-3-fluorophenyl)prop-2-enoic acid
CID 107692302
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
chloro(methyl)mercury;3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 67566046
(E)-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoic acid
CID 146640129
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid;ethane;2-methylpropan-2-ol
CID 142376812

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid (CID 92855049) is (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C\C(=O)O)cc1F.
What is the InChIKey of (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is VKZYEBQHWQTZKA-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3-.
What are the key properties of (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(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 (Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 92855049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).