methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate

C16H13FO5 — CID 67367377

IUPACmethyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)c2cc(F)c(O)cc2O)cc1
InChIInChI=1S/C16H13FO5/c1-22-16(21)10-4-2-9(3-5-10)6-13(18)11-7-12(17)15(20)8-14(11)19/h2-5,7-8,19-20H,6H2,1H3
InChIKeySUANZHPMNDZYNG-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.45
Rot. Bonds4

About methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate

methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate (PubChem CID 67367377) has the molecular formula C16H13FO5 and a molecular weight of 304.27 g/mol. Its IUPAC name is methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate
PubChem CID67367377
Molecular FormulaC16H13FO5
Molecular Weight304.27 g/mol
Exact Mass304.07
IUPAC Namemethyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)c2cc(F)c(O)cc2O)cc1
InChIInChI=1S/C16H13FO5/c1-22-16(21)10-4-2-9(3-5-10)6-13(18)11-7-12(17)15(20)8-14(11)19/h2-5,7-8,19-20H,6H2,1H3
InChIKeySUANZHPMNDZYNG-UHFFFAOYSA-N
XLogP2.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Genistein
CID 5280961
Octabenzone
CID 15797
2-Hydroxy-4-methoxybenzophenone
CID 4632
Phloretin
CID 4788
Formononetin
CID 5280378
Daidzein
CID 5281708
Zearalenone
CID 5281576
Paeonol
CID 11092
Biochanin A
CID 5280373
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
Atraric Acid
CID 78435
2,2'-Dihydroxy-4-methoxybenzophenone
CID 8569

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate?
The IUPAC name of methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate (CID 67367377) is methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate?
The canonical SMILES for methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate is COC(=O)c1ccc(CC(=O)c2cc(F)c(O)cc2O)cc1.
What is the InChIKey of methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate?
The InChIKey is SUANZHPMNDZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO5/c1-22-16(21)10-4-2-9(3-5-10)6-13(18)11-7-12(17)15(20)8-14(11)19/h2-5,7-8,19-20H,6H2,1H3.
What are the key properties of methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate?
methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate has a molecular weight of 304.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(5-fluoro-2,4-dihydroxyphenyl)-2-oxoethyl]benzoate is sourced from PubChem (CID 67367377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).