4-bromo-2-[(4-fluorophenyl)methyl]phenol

C13H10BrFO — CID 68530716

IUPAC4-bromo-2-[(4-fluorophenyl)methyl]phenol
SMILESOc1ccc(Br)cc1Cc1ccc(F)cc1
InChIInChI=1S/C13H10BrFO/c14-11-3-6-13(16)10(8-11)7-9-1-4-12(15)5-2-9/h1-6,8,16H,7H2
InChIKeyAADKCHWRVDEGOV-UHFFFAOYSA-N
MW281.12 g/mol
LogP3.88
Rot. Bonds2

About 4-bromo-2-[(4-fluorophenyl)methyl]phenol

4-bromo-2-[(4-fluorophenyl)methyl]phenol (PubChem CID 68530716) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 4-bromo-2-[(4-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-fluorophenyl)methyl]phenol
PubChem CID68530716
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name4-bromo-2-[(4-fluorophenyl)methyl]phenol
SMILESOc1ccc(Br)cc1Cc1ccc(F)cc1
InChIInChI=1S/C13H10BrFO/c14-11-3-6-13(16)10(8-11)7-9-1-4-12(15)5-2-9/h1-6,8,16H,7H2
InChIKeyAADKCHWRVDEGOV-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[4-bromo-2-[(4-fluorophenyl)methyl]phenyl]sulfanyl-2-[(4-fluorophenyl)methyl]benzene
CID 141479328
4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol
CID 68531408
4-bromo-2-[(2-methylphenyl)methyl]phenol
CID 164892192
6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
CID 102584547
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 75481107
2-fluoro-4-[(4-fluorophenyl)methyl]phenol
CID 151291019
4-bromo-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 51981416
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
CID 141126761
4-[(4-fluorophenyl)methyl]naphthalen-1-ol
CID 70607159

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-fluorophenyl)methyl]phenol?
The IUPAC name of 4-bromo-2-[(4-fluorophenyl)methyl]phenol (CID 68530716) is 4-bromo-2-[(4-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-fluorophenyl)methyl]phenol is Oc1ccc(Br)cc1Cc1ccc(F)cc1.
What is the InChIKey of 4-bromo-2-[(4-fluorophenyl)methyl]phenol?
The InChIKey is AADKCHWRVDEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c14-11-3-6-13(16)10(8-11)7-9-1-4-12(15)5-2-9/h1-6,8,16H,7H2.
What are the key properties of 4-bromo-2-[(4-fluorophenyl)methyl]phenol?
4-bromo-2-[(4-fluorophenyl)methyl]phenol has a molecular weight of 281.12 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-fluorophenyl)methyl]phenol is sourced from PubChem (CID 68530716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).