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

C11H11FO3 — CID 75360951

IUPAC(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
SMILESCOc1ccc(/C=C(/C)C(=O)O)cc1F
InChIInChI=1S/C11H11FO3/c1-7(11(13)14)5-8-3-4-10(15-2)9(12)6-8/h3-6H,1-2H3,(H,13,14)/b7-5-
InChIKeyQBUJMDMWUVYMCY-ALCCZGGFSA-N
MW210.20 g/mol
LogP2.32
Rot. Bonds3

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

(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid (PubChem CID 75360951) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
PubChem CID75360951
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
SMILESCOc1ccc(/C=C(/C)C(=O)O)cc1F
InChIInChI=1S/C11H11FO3/c1-7(11(13)14)5-8-3-4-10(15-2)9(12)6-8/h3-6H,1-2H3,(H,13,14)/b7-5-
InChIKeyQBUJMDMWUVYMCY-ALCCZGGFSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.32
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

3-(4-fluoro-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 123625955
3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
CID 175687198
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135
3-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-methylprop-2-enoic acid
CID 123489109
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid
CID 55255383
(E)-3-(4-acetamido-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 70408340
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
CID 79323277
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
(E)-3-[4-(4-hydroxybenzoyl)oxy-3-methoxyphenyl]-2-methylprop-2-enoic acid
CID 90113470

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid (CID 75360951) is (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid is COc1ccc(/C=C(/C)C(=O)O)cc1F.
What is the InChIKey of (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid?
The InChIKey is QBUJMDMWUVYMCY-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H11FO3/c1-7(11(13)14)5-8-3-4-10(15-2)9(12)6-8/h3-6H,1-2H3,(H,13,14)/b7-5-.
What are the key properties of (Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid?
(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid has a molecular weight of 210.20 g/mol, XLogP of 2.32, 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)-2-methylprop-2-enoic acid is sourced from PubChem (CID 75360951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).