(4-bromo-2-methoxyphenyl)methanol

C8H9BrO2 — CID 15128243

IUPAC(4-bromo-2-methoxyphenyl)methanol
SMILESCOc1cc(Br)ccc1CO
InChIInChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3
InChIKeyHBEIHPSICGGZIF-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.95
Rot. Bonds2

About (4-bromo-2-methoxyphenyl)methanol

(4-bromo-2-methoxyphenyl)methanol (PubChem CID 15128243) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)methanol
PubChem CID15128243
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name(4-bromo-2-methoxyphenyl)methanol
SMILESCOc1cc(Br)ccc1CO
InChIInChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3
InChIKeyHBEIHPSICGGZIF-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)methanol (CID 15128243) is (4-bromo-2-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)methanol is COc1cc(Br)ccc1CO.
What is the InChIKey of (4-bromo-2-methoxyphenyl)methanol?
The InChIKey is HBEIHPSICGGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)methanol?
(4-bromo-2-methoxyphenyl)methanol has a molecular weight of 217.06 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)methanol is sourced from PubChem (CID 15128243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).