7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol

C15H12F2O3 — CID 107694148

IUPAC7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOc1ccc(C2CC(O)c3ccc(F)cc3O2)cc1F
InChIInChI=1S/C15H12F2O3/c16-9-2-3-10-13(19)7-14(20-15(10)6-9)8-1-4-12(18)11(17)5-8/h1-6,13-14,18-19H,7H2
InChIKeyKGLPQHVNABONJW-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.23
Rot. Bonds1

About 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol

7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 107694148) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID107694148
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOc1ccc(C2CC(O)c3ccc(F)cc3O2)cc1F
InChIInChI=1S/C15H12F2O3/c16-9-2-3-10-13(19)7-14(20-15(10)6-9)8-1-4-12(18)11(17)5-8/h1-6,13-14,18-19H,7H2
InChIKeyKGLPQHVNABONJW-UHFFFAOYSA-N
XLogP3.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
CID 107694178
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 107694148) is 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol is Oc1ccc(C2CC(O)c3ccc(F)cc3O2)cc1F.
What is the InChIKey of 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KGLPQHVNABONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-9-2-3-10-13(19)7-14(20-15(10)6-9)8-1-4-12(18)11(17)5-8/h1-6,13-14,18-19H,7H2.
What are the key properties of 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 278.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 107694148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).