methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate

C19H19FO3 — CID 156812669

IUPACmethyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate
SMILESCO/C=C(\Cc1cc(-c2ccccc2F)ccc1C)C(=O)OC
InChIInChI=1S/C19H19FO3/c1-13-8-9-14(17-6-4-5-7-18(17)20)10-15(13)11-16(12-22-2)19(21)23-3/h4-10,12H,11H2,1-3H3/b16-12+
InChIKeyAXPIUPKZNJUVLJ-FOWTUZBSSA-N
MW314.36 g/mol
LogP4.05
Rot. Bonds5

About methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate

methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate (PubChem CID 156812669) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate
PubChem CID156812669
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Namemethyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate
SMILESCO/C=C(\Cc1cc(-c2ccccc2F)ccc1C)C(=O)OC
InChIInChI=1S/C19H19FO3/c1-13-8-9-14(17-6-4-5-7-18(17)20)10-15(13)11-16(12-22-2)19(21)23-3/h4-10,12H,11H2,1-3H3/b16-12+
InChIKeyAXPIUPKZNJUVLJ-FOWTUZBSSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
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

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CID 146534667
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methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543594
methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
CID 2741197
methyl (Z)-2-(1,3-dioxoisoindol-2-yl)-3-methoxyprop-2-enoate
CID 820208
2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene
CID 59931454
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323
3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide
CID 139885027

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate (CID 156812669) is methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate is CO/C=C(\Cc1cc(-c2ccccc2F)ccc1C)C(=O)OC.
What is the InChIKey of methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate?
The InChIKey is AXPIUPKZNJUVLJ-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H19FO3/c1-13-8-9-14(17-6-4-5-7-18(17)20)10-15(13)11-16(12-22-2)19(21)23-3/h4-10,12H,11H2,1-3H3/b16-12+.
What are the key properties of methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate?
methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate has a molecular weight of 314.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[[5-(2-fluorophenyl)-2-methylphenyl]methyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 156812669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).