3-bromo-5-[2-(hydroxymethyl)phenyl]phenol

C13H11BrO2 — CID 53221767

IUPAC3-bromo-5-[2-(hydroxymethyl)phenyl]phenol
SMILESOCc1ccccc1-c1cc(O)cc(Br)c1
InChIInChI=1S/C13H11BrO2/c14-11-5-10(6-12(16)7-11)13-4-2-1-3-9(13)8-15/h1-7,15-16H,8H2
InChIKeyWVLQOZXZISISCL-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.31
Rot. Bonds2

About 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol

3-bromo-5-[2-(hydroxymethyl)phenyl]phenol (PubChem CID 53221767) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol.

Molecular Properties

Compound Name3-bromo-5-[2-(hydroxymethyl)phenyl]phenol
PubChem CID53221767
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name3-bromo-5-[2-(hydroxymethyl)phenyl]phenol
SMILESOCc1ccccc1-c1cc(O)cc(Br)c1
InChIInChI=1S/C13H11BrO2/c14-11-5-10(6-12(16)7-11)13-4-2-1-3-9(13)8-15/h1-7,15-16H,8H2
InChIKeyWVLQOZXZISISCL-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol?
The IUPAC name of 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol (CID 53221767) is 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol.
What is the SMILES notation for 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol?
The canonical SMILES for 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol is OCc1ccccc1-c1cc(O)cc(Br)c1.
What is the InChIKey of 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol?
The InChIKey is WVLQOZXZISISCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-11-5-10(6-12(16)7-11)13-4-2-1-3-9(13)8-15/h1-7,15-16H,8H2.
What are the key properties of 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol?
3-bromo-5-[2-(hydroxymethyl)phenyl]phenol has a molecular weight of 279.13 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(hydroxymethyl)phenyl]phenol is sourced from PubChem (CID 53221767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).