1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one

C17H15FO — CID 131632623

IUPAC1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO/c1-2-13-6-9-15(10-7-13)17(19)11-8-14-4-3-5-16(18)12-14/h3-12H,2H2,1H3
InChIKeyICHXLMFQTNUPSL-UHFFFAOYSA-N
MW254.30 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one

1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one (PubChem CID 131632623) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
PubChem CID131632623
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO/c1-2-13-6-9-15(10-7-13)17(19)11-8-14-4-3-5-16(18)12-14/h3-12H,2H2,1H3
InChIKeyICHXLMFQTNUPSL-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzonitrile
CID 25468290
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 4149722
(E)-3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6021810
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921212
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830407
(Z)-2-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952457
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
(E)-3-(3-ethylphenyl)-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 19824584
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
1-(4-ethylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 3307819

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CID 131632623) is 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is CCc1ccc(C(=O)C=Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The InChIKey is ICHXLMFQTNUPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-2-13-6-9-15(10-7-13)17(19)11-8-14-4-3-5-16(18)12-14/h3-12H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one has a molecular weight of 254.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 131632623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).