3-fluoro-7-hydroxychromen-4-one

C9H5FO3 — CID 14948349

IUPAC3-fluoro-7-hydroxychromen-4-one
SMILESO=c1c(F)coc2cc(O)ccc12
InChIInChI=1S/C9H5FO3/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4,11H
InChIKeyXMXDQSCPYPYQOL-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.64
Rot. Bonds

About 3-fluoro-7-hydroxychromen-4-one

3-fluoro-7-hydroxychromen-4-one (PubChem CID 14948349) has the molecular formula C9H5FO3 and a molecular weight of 180.13 g/mol. Its IUPAC name is 3-fluoro-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-fluoro-7-hydroxychromen-4-one
PubChem CID14948349
Molecular FormulaC9H5FO3
Molecular Weight180.13 g/mol
Exact Mass180.02
IUPAC Name3-fluoro-7-hydroxychromen-4-one
SMILESO=c1c(F)coc2cc(O)ccc12
InChIInChI=1S/C9H5FO3/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4,11H
InChIKeyXMXDQSCPYPYQOL-UHFFFAOYSA-N
XLogP1.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-3-methylchromen-4-one
CID 13419593
3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
CID 71483517
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
7-hydroxy-3-(2-hydroxyphenoxy)chromen-4-one
CID 165346061
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
7-hydroxy-3-(4-iodophenoxy)chromen-4-one
CID 5428913
7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
CID 175976298
7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one
CID 146292918
3-[(4-tert-butylphenyl)methyl]-7-hydroxychromen-4-one
CID 142717412

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-hydroxychromen-4-one?
The IUPAC name of 3-fluoro-7-hydroxychromen-4-one (CID 14948349) is 3-fluoro-7-hydroxychromen-4-one.
What is the SMILES notation for 3-fluoro-7-hydroxychromen-4-one?
The canonical SMILES for 3-fluoro-7-hydroxychromen-4-one is O=c1c(F)coc2cc(O)ccc12.
What is the InChIKey of 3-fluoro-7-hydroxychromen-4-one?
The InChIKey is XMXDQSCPYPYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4,11H.
What are the key properties of 3-fluoro-7-hydroxychromen-4-one?
3-fluoro-7-hydroxychromen-4-one has a molecular weight of 180.13 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-hydroxychromen-4-one is sourced from PubChem (CID 14948349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).