prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate

C20H19FO4 — CID 91685630

IUPACprop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate
SMILESC=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H19FO4/c1-3-12-24-20(22)11-7-15-6-10-18(23-2)19(13-15)25-14-16-4-8-17(21)9-5-16/h3-11,13H,1,12,14H2,2H3/b11-7+
InChIKeyRXQVXZCVZGINLY-YRNVUSSQSA-N
MW342.37 g/mol
LogP4.16
Rot. Bonds8

About prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate

prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate (PubChem CID 91685630) has the molecular formula C20H19FO4 and a molecular weight of 342.37 g/mol. Its IUPAC name is prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate
PubChem CID91685630
Molecular FormulaC20H19FO4
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Nameprop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate
SMILESC=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H19FO4/c1-3-12-24-20(22)11-7-15-6-10-18(23-2)19(13-15)25-14-16-4-8-17(21)9-5-16/h3-11,13H,1,12,14H2,2H3/b11-7+
InChIKeyRXQVXZCVZGINLY-YRNVUSSQSA-N
XLogP4.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate
CID 7680810
prop-2-enyl (E)-3-[4-[(4-bromophenyl)methoxy]-3-iodophenyl]prop-2-enoate
CID 91684856
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 165351564
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
prop-2-enyl (E)-3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684945
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684714
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 82152628
(2,3,4,5,6-pentafluorophenyl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966303
prop-2-enyl (E)-3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoate
CID 91684908

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate?
The IUPAC name of prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate (CID 91685630) is prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate?
The canonical SMILES for prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate is C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate?
The InChIKey is RXQVXZCVZGINLY-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H19FO4/c1-3-12-24-20(22)11-7-15-6-10-18(23-2)19(13-15)25-14-16-4-8-17(21)9-5-16/h3-11,13H,1,12,14H2,2H3/b11-7+.
What are the key properties of prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate?
prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate has a molecular weight of 342.37 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 91685630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).