(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate

C17H13FO3 — CID 917641

IUPAC(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
SMILESCC(=O)c1ccc(OC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO3/c1-12(19)14-5-9-16(10-6-14)21-17(20)11-4-13-2-7-15(18)8-3-13/h2-11H,1H3
InChIKeyONUQSGXSFLOUDE-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.65
Rot. Bonds4

About (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate

(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate (PubChem CID 917641) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
PubChem CID917641
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
SMILESCC(=O)c1ccc(OC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO3/c1-12(19)14-5-9-16(10-6-14)21-17(20)11-4-13-2-7-15(18)8-3-13/h2-11H,1H3
InChIKeyONUQSGXSFLOUDE-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
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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Related Compounds

4-[(E)-3-(4-fluorophenoxy)-3-oxoprop-1-enyl]benzoic acid
CID 142730477
(4-acetylphenyl) (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7741057
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
(4-acetylphenyl) 3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 4813382
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 177461738
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064
(4-acetylphenyl) (E)-3-(4-heptoxyphenyl)prop-2-enoate
CID 43833921
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate (CID 917641) is (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate is CC(=O)c1ccc(OC(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is ONUQSGXSFLOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO3/c1-12(19)14-5-9-16(10-6-14)21-17(20)11-4-13-2-7-15(18)8-3-13/h2-11H,1H3.
What are the key properties of (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate?
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 284.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 917641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).