bis(4-fluoro-2-hydroxyphenyl)methanone

C13H8F2O3 — CID 125469613

IUPACbis(4-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)cc1O)c1ccc(F)cc1O
InChIInChI=1S/C13H8F2O3/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,16-17H
InChIKeyXBHADOMRAJDRRF-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.61
Rot. Bonds2

About bis(4-fluoro-2-hydroxyphenyl)methanone

bis(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 125469613) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is bis(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID125469613
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Namebis(4-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)cc1O)c1ccc(F)cc1O
InChIInChI=1S/C13H8F2O3/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,16-17H
InChIKeyXBHADOMRAJDRRF-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
ethane;5-fluoro-2-prop-1-en-2-ylphenol
CID 142945481
(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 162436453
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 91646563
ethane;(Z)-1-(4-fluoro-2-hydroxyphenyl)-2-methylbut-2-en-1-one;2-methylpropane
CID 156877784

Frequently Asked Questions

What is the IUPAC name of bis(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of bis(4-fluoro-2-hydroxyphenyl)methanone (CID 125469613) is bis(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for bis(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for bis(4-fluoro-2-hydroxyphenyl)methanone is O=C(c1ccc(F)cc1O)c1ccc(F)cc1O.
What is the InChIKey of bis(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is XBHADOMRAJDRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,16-17H.
What are the key properties of bis(4-fluoro-2-hydroxyphenyl)methanone?
bis(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 250.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 125469613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).