2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone

C15H12BrFO3 — CID 59237860

IUPAC2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESO=C(CBr)c1cc(OCc2ccc(F)cc2)ccc1O
InChIInChI=1S/C15H12BrFO3/c16-8-15(19)13-7-12(5-6-14(13)18)20-9-10-1-3-11(17)4-2-10/h1-7,18H,8-9H2
InChIKeyYKTYYVBVJCFWBL-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.69
Rot. Bonds5

About 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone

2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone (PubChem CID 59237860) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone
PubChem CID59237860
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESO=C(CBr)c1cc(OCc2ccc(F)cc2)ccc1O
InChIInChI=1S/C15H12BrFO3/c16-8-15(19)13-7-12(5-6-14(13)18)20-9-10-1-3-11(17)4-2-10/h1-7,18H,8-9H2
InChIKeyYKTYYVBVJCFWBL-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol
CID 166637498
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone
CID 121418316
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The IUPAC name of 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone (CID 59237860) is 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone is O=C(CBr)c1cc(OCc2ccc(F)cc2)ccc1O.
What is the InChIKey of 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The InChIKey is YKTYYVBVJCFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c16-8-15(19)13-7-12(5-6-14(13)18)20-9-10-1-3-11(17)4-2-10/h1-7,18H,8-9H2.
What are the key properties of 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone?
2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone has a molecular weight of 339.16 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 59237860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).