1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone

C15H13FO3 — CID 113389556

IUPAC1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(O)cc2)c(F)c1
InChIInChI=1S/C15H13FO3/c1-10(17)12-4-7-15(14(16)8-12)19-9-11-2-5-13(18)6-3-11/h2-8,18H,9H2,1H3
InChIKeyVAISIXWGVFUCKX-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.31
Rot. Bonds4

About 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone

1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone (PubChem CID 113389556) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
PubChem CID113389556
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(O)cc2)c(F)c1
InChIInChI=1S/C15H13FO3/c1-10(17)12-4-7-15(14(16)8-12)19-9-11-2-5-13(18)6-3-11/h2-8,18H,9H2,1H3
InChIKeyVAISIXWGVFUCKX-UHFFFAOYSA-N
XLogP3.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779846
1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
CID 112703041
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
CID 113237188
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
1-[3-fluoro-4-(4-phenylbutoxy)phenyl]ethanone
CID 114333678
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
4-[(2-fluoro-4-propanoylphenoxy)methyl]benzonitrile
CID 155087147
3-[(4-acetyl-2-fluorophenoxy)methyl]-4-fluorobenzonitrile
CID 115610587
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 112689447

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone (CID 113389556) is 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ccc(O)cc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is VAISIXWGVFUCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10(17)12-4-7-15(14(16)8-12)19-9-11-2-5-13(18)6-3-11/h2-8,18H,9H2,1H3.
What are the key properties of 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone?
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 260.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 113389556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).