methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate

C18H15FO4 — CID 60601226

IUPACmethyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C18H15FO4/c1-22-18(21)12-23-15-9-6-14(7-10-15)17(20)11-8-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3/b11-8+
InChIKeyRLOFOOWYUIIGEY-DHZHZOJOSA-N
MW314.31 g/mol
LogP3.27
Rot. Bonds6

About methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate

methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate (PubChem CID 60601226) has the molecular formula C18H15FO4 and a molecular weight of 314.31 g/mol. Its IUPAC name is methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate
PubChem CID60601226
Molecular FormulaC18H15FO4
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Namemethyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C18H15FO4/c1-22-18(21)12-23-15-9-6-14(7-10-15)17(20)11-8-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3/b11-8+
InChIKeyRLOFOOWYUIIGEY-DHZHZOJOSA-N
XLogP3.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
methyl 2-[4-[3-(2,4-dimethylphenyl)prop-2-enoyl]phenoxy]acetate
CID 76877741
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(E)-1-(4-tert-butylphenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7967097
methyl 2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate
CID 51097580
methyl 2-[4-[(E)-3-(3-bromophenyl)prop-2-enoyl]phenoxy]acetate
CID 60601094
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
methyl 2-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]phenoxy]acetate
CID 76877685
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830404
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
methyl 2-[4-[3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetate
CID 76877718

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate (CID 60601226) is methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)/C=C/c2ccccc2F)cc1.
What is the InChIKey of methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate?
The InChIKey is RLOFOOWYUIIGEY-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15FO4/c1-22-18(21)12-23-15-9-6-14(7-10-15)17(20)11-8-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3/b11-8+.
What are the key properties of methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate?
methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate has a molecular weight of 314.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate is sourced from PubChem (CID 60601226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).