1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone

C14H10BrFO2 — CID 75481107

IUPAC1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(Br)cc1O
InChIInChI=1S/C14H10BrFO2/c15-10-3-6-12(14(18)8-10)13(17)7-9-1-4-11(16)5-2-9/h1-6,8,18H,7H2
InChIKeyTWAMNJXRNBNFSS-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone

1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 75481107) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
PubChem CID75481107
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(Br)cc1O
InChIInChI=1S/C14H10BrFO2/c15-10-3-6-12(14(18)8-10)13(17)7-9-1-4-11(16)5-2-9/h1-6,8,18H,7H2
InChIKeyTWAMNJXRNBNFSS-UHFFFAOYSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
2-bromo-1-(4-bromo-2-hydroxyphenyl)ethanone
CID 91882526
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
1-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 114905791
1-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 58402413
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 81473906
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
4-bromo-2-[(4-fluorophenyl)methyl]phenol
CID 68530716
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone (CID 75481107) is 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccc(Br)cc1O.
What is the InChIKey of 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is TWAMNJXRNBNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c15-10-3-6-12(14(18)8-10)13(17)7-9-1-4-11(16)5-2-9/h1-6,8,18H,7H2.
What are the key properties of 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone?
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 309.13 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 75481107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).