1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one

C16H11FO2 — CID 11673282

IUPAC1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
SMILESCOc1ccc(F)cc1C(=O)C#Cc1ccccc1
InChIInChI=1S/C16H11FO2/c1-19-16-10-8-13(17)11-14(16)15(18)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3
InChIKeyZVMAPASCFXBYFH-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.07
Rot. Bonds2

About 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one

1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one (PubChem CID 11673282) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
PubChem CID11673282
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
SMILESCOc1ccc(F)cc1C(=O)C#Cc1ccccc1
InChIInChI=1S/C16H11FO2/c1-19-16-10-8-13(17)11-14(16)15(18)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3
InChIKeyZVMAPASCFXBYFH-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.07
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-(2-bromo-5-fluorophenyl)-3-phenylprop-2-yn-1-one
CID 164665402
1-(5-bromo-2,4-dimethoxyphenyl)-3-phenylprop-2-yn-1-one
CID 67067740
1-(2-hydroxy-3,5-dimethoxyphenyl)-3-phenylprop-2-yn-1-one
CID 135053023
1-(3-bromo-2,4-dimethoxyphenyl)-3-phenylprop-2-yn-1-one
CID 67067638
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-[3-(4-fluorophenyl)prop-2-ynoyl]phenyl] methyl carbonate
CID 154711217
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one (CID 11673282) is 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one is COc1ccc(F)cc1C(=O)C#Cc1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one?
The InChIKey is ZVMAPASCFXBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c1-19-16-10-8-13(17)11-14(16)15(18)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one?
1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one has a molecular weight of 254.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 11673282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).