[3-bromo-4-(hydroxymethyl)phenyl]methanol

C8H9BrO2 — CID 18676617

IUPAC[3-bromo-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1ccc(CO)c(Br)c1
InChIInChI=1S/C8H9BrO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5H2
InChIKeyKYBPOEADFKOHSI-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.43
Rot. Bonds2

About [3-bromo-4-(hydroxymethyl)phenyl]methanol

[3-bromo-4-(hydroxymethyl)phenyl]methanol (PubChem CID 18676617) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is [3-bromo-4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(hydroxymethyl)phenyl]methanol
PubChem CID18676617
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name[3-bromo-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1ccc(CO)c(Br)c1
InChIInChI=1S/C8H9BrO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5H2
InChIKeyKYBPOEADFKOHSI-UHFFFAOYSA-N
XLogP1.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [3-bromo-4-(hydroxymethyl)phenyl]methanol (CID 18676617) is [3-bromo-4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(hydroxymethyl)phenyl]methanol is OCc1ccc(CO)c(Br)c1.
What is the InChIKey of [3-bromo-4-(hydroxymethyl)phenyl]methanol?
The InChIKey is KYBPOEADFKOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5H2.
What are the key properties of [3-bromo-4-(hydroxymethyl)phenyl]methanol?
[3-bromo-4-(hydroxymethyl)phenyl]methanol has a molecular weight of 217.06 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 18676617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).