acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one

C17H13FO3 — CID 154678052

IUPACacetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESC#C.O=C1c2ccc(O)cc2OCC1c1ccc(F)cc1
InChIInChI=1S/C15H11FO3.C2H2/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-2/h1-7,13,17H,8H2;1-2H
InChIKeyXUXQJUSEDGGXRO-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.14
Rot. Bonds1

About acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one

acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 154678052) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Nameacetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
PubChem CID154678052
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Nameacetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESC#C.O=C1c2ccc(O)cc2OCC1c1ccc(F)cc1
InChIInChI=1S/C15H11FO3.C2H2/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-2/h1-7,13,17H,8H2;1-2H
InChIKeyXUXQJUSEDGGXRO-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
3-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 590611
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;[4-(7-methyl-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 162201532
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol
CID 158152525
6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane
CID 142024864
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169447672
(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one
CID 97050179
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)-2,3-dihydrochromen-4-one;hydrobromide
CID 175142288

Frequently Asked Questions

What is the IUPAC name of acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one (CID 154678052) is acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one is C#C.O=C1c2ccc(O)cc2OCC1c1ccc(F)cc1.
What is the InChIKey of acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is XUXQJUSEDGGXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3.C2H2/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-2/h1-7,13,17H,8H2;1-2H.
What are the key properties of acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 154678052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).