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

C20H17FO4 — CID 122660279

IUPAC2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1F
InChIInChI=1S/C20H17FO4/c1-3-19(22)24-12-11-15-5-6-16(13-18(15)21)14-7-9-17(10-8-14)25-20(23)4-2/h3-10,13H,1-2,11-12H2
InChIKeyNPLPTOYCXLYNFV-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.86
Rot. Bonds7

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

2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate (PubChem CID 122660279) has the molecular formula C20H17FO4 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
PubChem CID122660279
Molecular FormulaC20H17FO4
Molecular Weight340.35 g/mol
Exact Mass340.11
IUPAC Name2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1F
InChIInChI=1S/C20H17FO4/c1-3-19(22)24-12-11-15-5-6-16(13-18(15)21)14-7-9-17(10-8-14)25-20(23)4-2/h3-10,13H,1-2,11-12H2
InChIKeyNPLPTOYCXLYNFV-UHFFFAOYSA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 122660269
[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
CID 68642304
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
2-[5-amino-2-[4-[4-[4-amino-2-(2-prop-2-enoyloxyethyl)phenoxy]phenyl]phenoxy]phenyl]ethyl prop-2-enoate
CID 126571556
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 129143052
[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate
CID 168764522

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate (CID 122660279) is 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate?
The InChIKey is NPLPTOYCXLYNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO4/c1-3-19(22)24-12-11-15-5-6-16(13-18(15)21)14-7-9-17(10-8-14)25-20(23)4-2/h3-10,13H,1-2,11-12H2.
What are the key properties of 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate?
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate has a molecular weight of 340.35 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 122660279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).