1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one

C17H13FO2 — CID 11380154

IUPAC1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
SMILESCCOc1ccc(C(=O)C#Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO2/c1-2-20-16-10-6-14(7-11-16)17(19)12-5-13-3-8-15(18)9-4-13/h3-4,6-11H,2H2,1H3
InChIKeyMNGHHZFLPBNDFZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one

1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one (PubChem CID 11380154) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
PubChem CID11380154
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
SMILESCCOc1ccc(C(=O)C#Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO2/c1-2-20-16-10-6-14(7-11-16)17(19)12-5-13-3-8-15(18)9-4-13/h3-4,6-11H,2H2,1H3
InChIKeyMNGHHZFLPBNDFZ-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
ethyl 2-acetamido-5-[3-(4-fluorophenyl)-3-oxoprop-1-ynyl]benzoate
CID 139267273
1-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-one
CID 164736399
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 177461738
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
1-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-one
CID 121427093

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one (CID 11380154) is 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one is CCOc1ccc(C(=O)C#Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
The InChIKey is MNGHHZFLPBNDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c1-2-20-16-10-6-14(7-11-16)17(19)12-5-13-3-8-15(18)9-4-13/h3-4,6-11H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one has a molecular weight of 268.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one is sourced from PubChem (CID 11380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).