3-bromo-5-(4-fluoro-3-methylphenyl)phenol

C13H10BrFO — CID 53221777

IUPAC3-bromo-5-(4-fluoro-3-methylphenyl)phenol
SMILESCc1cc(-c2cc(O)cc(Br)c2)ccc1F
InChIInChI=1S/C13H10BrFO/c1-8-4-9(2-3-13(8)15)10-5-11(14)7-12(16)6-10/h2-7,16H,1H3
InChIKeyLWDIYTVJYGJMPL-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.27
Rot. Bonds1

About 3-bromo-5-(4-fluoro-3-methylphenyl)phenol

3-bromo-5-(4-fluoro-3-methylphenyl)phenol (PubChem CID 53221777) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 3-bromo-5-(4-fluoro-3-methylphenyl)phenol.

Molecular Properties

Compound Name3-bromo-5-(4-fluoro-3-methylphenyl)phenol
PubChem CID53221777
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name3-bromo-5-(4-fluoro-3-methylphenyl)phenol
SMILESCc1cc(-c2cc(O)cc(Br)c2)ccc1F
InChIInChI=1S/C13H10BrFO/c1-8-4-9(2-3-13(8)15)10-5-11(14)7-12(16)6-10/h2-7,16H,1H3
InChIKeyLWDIYTVJYGJMPL-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-fluoro-3-methylphenyl)phenol?
The IUPAC name of 3-bromo-5-(4-fluoro-3-methylphenyl)phenol (CID 53221777) is 3-bromo-5-(4-fluoro-3-methylphenyl)phenol.
What is the SMILES notation for 3-bromo-5-(4-fluoro-3-methylphenyl)phenol?
The canonical SMILES for 3-bromo-5-(4-fluoro-3-methylphenyl)phenol is Cc1cc(-c2cc(O)cc(Br)c2)ccc1F.
What is the InChIKey of 3-bromo-5-(4-fluoro-3-methylphenyl)phenol?
The InChIKey is LWDIYTVJYGJMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c1-8-4-9(2-3-13(8)15)10-5-11(14)7-12(16)6-10/h2-7,16H,1H3.
What are the key properties of 3-bromo-5-(4-fluoro-3-methylphenyl)phenol?
3-bromo-5-(4-fluoro-3-methylphenyl)phenol has a molecular weight of 281.12 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-fluoro-3-methylphenyl)phenol is sourced from PubChem (CID 53221777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).