[2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate

C13H13FO5 — CID 167657440

IUPAC[2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C13H13FO5/c1-9(7-17-2)13(16)18-8-12(15)19-11-5-3-10(14)4-6-11/h3-6H,1,7-8H2,2H3
InChIKeyTXJCQGPBEVTSLY-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.48
Rot. Bonds6

About [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate

[2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate (PubChem CID 167657440) has the molecular formula C13H13FO5 and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate
PubChem CID167657440
Molecular FormulaC13H13FO5
Molecular Weight268.24 g/mol
Exact Mass268.07
IUPAC Name[2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C13H13FO5/c1-9(7-17-2)13(16)18-8-12(15)19-11-5-3-10(14)4-6-11/h3-6H,1,7-8H2,2H3
InChIKeyTXJCQGPBEVTSLY-UHFFFAOYSA-N
XLogP1.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 149008109
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
(4-methylphenyl) 2-methoxyacetate
CID 142940402
2-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 155139350
[4-[3-fluoro-4-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 148814539
1-O-methyl 4-O-(2-oxo-2-phenoxyethyl) 2-methylidenebutanedioate
CID 139903627
(4-chlorophenyl) 2-methoxyacetate
CID 849221
[4-(pentafluoro-λ6-sulfanyl)phenyl] 2-methoxyacetate
CID 177288047
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
(4-prop-2-enoxyphenyl) 2-methoxyacetate
CID 174369154
[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]-5-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146669142
[2-[4-[2,2-dimethoxy-2-[4-[2-(2-methylprop-2-enoyloxy)acetyl]oxyphenyl]acetyl]phenoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 118198272

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate?
The IUPAC name of [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate (CID 167657440) is [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)OCC(=O)Oc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate?
The InChIKey is TXJCQGPBEVTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO5/c1-9(7-17-2)13(16)18-8-12(15)19-11-5-3-10(14)4-6-11/h3-6H,1,7-8H2,2H3.
What are the key properties of [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate?
[2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate has a molecular weight of 268.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenoxy)-2-oxoethyl] 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 167657440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).