2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate

C30H25FO5 — CID 123770109

IUPAC2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C=Cc2ccc(C=Cc3ccc(OC(=O)C=C)cc3F)cc2)cc1
InChIInChI=1S/C30H25FO5/c1-3-29(32)35-20-19-34-26-16-12-24(13-17-26)10-7-22-5-8-23(9-6-22)11-14-25-15-18-27(21-28(25)31)36-30(33)4-2/h3-18,21H,1-2,19-20H2
InChIKeyAHNUCRWHDUMIOL-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.37
Rot. Bonds11

About 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate

2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate (PubChem CID 123770109) has the molecular formula C30H25FO5 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
PubChem CID123770109
Molecular FormulaC30H25FO5
Molecular Weight484.52 g/mol
Exact Mass484.17
IUPAC Name2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C=Cc2ccc(C=Cc3ccc(OC(=O)C=C)cc3F)cc2)cc1
InChIInChI=1S/C30H25FO5/c1-3-29(32)35-20-19-34-26-16-12-24(13-17-26)10-7-22-5-8-23(9-6-22)11-14-25-15-18-27(21-28(25)31)36-30(33)4-2/h3-18,21H,1-2,19-20H2
InChIKeyAHNUCRWHDUMIOL-UHFFFAOYSA-N
XLogP6.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl] prop-2-enoate
CID 67706064
2-[4-[(E)-3-(2-fluoro-4-prop-2-enoyloxyphenyl)-1-hydroxyprop-2-enoxy]phenyl]ethyl prop-2-enoate
CID 138706886
4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
CID 168764604
6-(3-fluoro-4-formylphenoxy)hexyl prop-2-enoate
CID 174332719
[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 118027453
[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
CID 68642304
2-[4-[2-[3-fluoro-4-[2-[4-(2-prop-2-enoyloxyethenoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethenyl prop-2-enoate
CID 123642028
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341
4-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenoxy]butyl prop-2-enoate
CID 20615357
[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 123359994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate (CID 123770109) is 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C=Cc2ccc(C=Cc3ccc(OC(=O)C=C)cc3F)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate?
The InChIKey is AHNUCRWHDUMIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FO5/c1-3-29(32)35-20-19-34-26-16-12-24(13-17-26)10-7-22-5-8-23(9-6-22)11-14-25-15-18-27(21-28(25)31)36-30(33)4-2/h3-18,21H,1-2,19-20H2.
What are the key properties of 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate?
2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate has a molecular weight of 484.52 g/mol, XLogP of 6.37, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 123770109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).