[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate

C15H10F2O3 — CID 121333283

IUPAC[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(O)cc2F)cc1F
InChIInChI=1S/C15H10F2O3/c1-2-15(19)20-14-6-3-9(7-13(14)17)11-5-4-10(18)8-12(11)16/h2-8,18H,1H2
InChIKeyYPRQWWPJLNLWRR-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.43
Rot. Bonds3

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

[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate (PubChem CID 121333283) has the molecular formula C15H10F2O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
PubChem CID121333283
Molecular FormulaC15H10F2O3
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(O)cc2F)cc1F
InChIInChI=1S/C15H10F2O3/c1-2-15(19)20-14-6-3-9(7-13(14)17)11-5-4-10(18)8-12(11)16/h2-8,18H,1H2
InChIKeyYPRQWWPJLNLWRR-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate (CID 121333283) is [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(O)cc2F)cc1F.
What is the InChIKey of [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate?
The InChIKey is YPRQWWPJLNLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3/c1-2-15(19)20-14-6-3-9(7-13(14)17)11-5-4-10(18)8-12(11)16/h2-8,18H,1H2.
What are the key properties of [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate?
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate has a molecular weight of 276.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 121333283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).