[4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol

C14H12BrFO2 — CID 10215032

IUPAC[4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
SMILESOCc1cc(Br)ccc1C(O)c1ccc(F)cc1
InChIInChI=1S/C14H12BrFO2/c15-11-3-6-13(10(7-11)8-17)14(18)9-1-4-12(16)5-2-9/h1-7,14,17-18H,8H2
InChIKeyGCJYYUGXODRJJT-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.16
Rot. Bonds3

About [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol

[4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol (PubChem CID 10215032) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
PubChem CID10215032
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name[4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
SMILESOCc1cc(Br)ccc1C(O)c1ccc(F)cc1
InChIInChI=1S/C14H12BrFO2/c15-11-3-6-13(10(7-11)8-17)14(18)9-1-4-12(16)5-2-9/h1-7,14,17-18H,8H2
InChIKeyGCJYYUGXODRJJT-UHFFFAOYSA-N
XLogP3.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol?
The IUPAC name of [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol (CID 10215032) is [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol?
The canonical SMILES for [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol is OCc1cc(Br)ccc1C(O)c1ccc(F)cc1.
What is the InChIKey of [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol?
The InChIKey is GCJYYUGXODRJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c15-11-3-6-13(10(7-11)8-17)14(18)9-1-4-12(16)5-2-9/h1-7,14,17-18H,8H2.
What are the key properties of [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol?
[4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol has a molecular weight of 311.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 10215032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).