7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H11FO3 — CID 114674580

IUPAC7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(O)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H11FO3/c16-10-4-5-12-13(18)8-14(19-15(12)7-10)9-2-1-3-11(17)6-9/h1-7,14,17H,8H2
InChIKeyNFKXTOCYGPOLQY-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.24
Rot. Bonds1

About 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114674580) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID114674580
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(O)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H11FO3/c16-10-4-5-12-13(18)8-14(19-15(12)7-10)9-2-1-3-11(17)6-9/h1-7,14,17H,8H2
InChIKeyNFKXTOCYGPOLQY-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 620596
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674557
2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
methyl 3-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)benzoate
CID 121301307
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 114674580) is 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(O)c2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is NFKXTOCYGPOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-10-4-5-12-13(18)8-14(19-15(12)7-10)9-2-1-3-11(17)6-9/h1-7,14,17H,8H2.
What are the key properties of 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 258.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).