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

C14H12Br2O2 — CID 11372175

IUPAC[5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol
SMILESOCc1cc(Br)ccc1-c1ccc(Br)cc1CO
InChIInChI=1S/C14H12Br2O2/c15-11-1-3-13(9(5-11)7-17)14-4-2-12(16)6-10(14)8-18/h1-6,17-18H,7-8H2
InChIKeyCWFWOCIIAVPGIQ-UHFFFAOYSA-N
MW372.06 g/mol
LogP3.86
Rot. Bonds3

About [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol

[5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol (PubChem CID 11372175) has the molecular formula C14H12Br2O2 and a molecular weight of 372.06 g/mol. Its IUPAC name is [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol
PubChem CID11372175
Molecular FormulaC14H12Br2O2
Molecular Weight372.06 g/mol
Exact Mass369.92
IUPAC Name[5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol
SMILESOCc1cc(Br)ccc1-c1ccc(Br)cc1CO
InChIInChI=1S/C14H12Br2O2/c15-11-1-3-13(9(5-11)7-17)14-4-2-12(16)6-10(14)8-18/h1-6,17-18H,7-8H2
InChIKeyCWFWOCIIAVPGIQ-UHFFFAOYSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol?
The IUPAC name of [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol (CID 11372175) is [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol is OCc1cc(Br)ccc1-c1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol?
The InChIKey is CWFWOCIIAVPGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2/c15-11-1-3-13(9(5-11)7-17)14-4-2-12(16)6-10(14)8-18/h1-6,17-18H,7-8H2.
What are the key properties of [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol?
[5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol has a molecular weight of 372.06 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[4-bromo-2-(hydroxymethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 11372175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).