[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate

C18H13FO4 — CID 67892187

IUPAC[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(F)c2)cc1
InChIInChI=1S/C18H13FO4/c1-3-17(20)22-14-8-5-12(6-9-14)13-7-10-16(15(19)11-13)23-18(21)4-2/h3-11H,1-2H2
InChIKeyCEQFPXKIFRTXNQ-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.68
Rot. Bonds5

About [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate

[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (PubChem CID 67892187) has the molecular formula C18H13FO4 and a molecular weight of 312.30 g/mol. Its IUPAC name is [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
PubChem CID67892187
Molecular FormulaC18H13FO4
Molecular Weight312.30 g/mol
Exact Mass312.08
IUPAC Name[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(F)c2)cc1
InChIInChI=1S/C18H13FO4/c1-3-17(20)22-14-8-5-12(6-9-14)13-7-10-16(15(19)11-13)23-18(21)4-2/h3-11H,1-2H2
InChIKeyCEQFPXKIFRTXNQ-UHFFFAOYSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.68
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

[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
CID 121333283
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate
CID 134467370
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 129143052
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (CID 67892187) is [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)c(F)c2)cc1.
What is the InChIKey of [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The InChIKey is CEQFPXKIFRTXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO4/c1-3-17(20)22-14-8-5-12(6-9-14)13-7-10-16(15(19)11-13)23-18(21)4-2/h3-11H,1-2H2.
What are the key properties of [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate has a molecular weight of 312.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 67892187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).