[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol

C10H12BrFO — CID 84706048

IUPAC[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol
SMILESCC(C)(F)c1ccc(CO)cc1Br
InChIInChI=1S/C10H12BrFO/c1-10(2,12)8-4-3-7(6-13)5-9(8)11/h3-5,13H,6H2,1-2H3
InChIKeyWJASMSMOSWYKGC-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.15
Rot. Bonds2

About [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol

[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol (PubChem CID 84706048) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol
PubChem CID84706048
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol
SMILESCC(C)(F)c1ccc(CO)cc1Br
InChIInChI=1S/C10H12BrFO/c1-10(2,12)8-4-3-7(6-13)5-9(8)11/h3-5,13H,6H2,1-2H3
InChIKeyWJASMSMOSWYKGC-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol?
The IUPAC name of [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol (CID 84706048) is [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol is CC(C)(F)c1ccc(CO)cc1Br.
What is the InChIKey of [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol?
The InChIKey is WJASMSMOSWYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-10(2,12)8-4-3-7(6-13)5-9(8)11/h3-5,13H,6H2,1-2H3.
What are the key properties of [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol?
[3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol has a molecular weight of 247.11 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-fluoropropan-2-yl)phenyl]methanol is sourced from PubChem (CID 84706048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).