(4-bromo-2,6-dimethoxyphenyl)methanol

C9H11BrO3 — CID 124706599

IUPAC(4-bromo-2,6-dimethoxyphenyl)methanol
SMILESCOc1cc(Br)cc(OC)c1CO
InChIInChI=1S/C9H11BrO3/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4,11H,5H2,1-2H3
InChIKeyDUOUGYRQMLZWNC-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.96
Rot. Bonds3

About (4-bromo-2,6-dimethoxyphenyl)methanol

(4-bromo-2,6-dimethoxyphenyl)methanol (PubChem CID 124706599) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is (4-bromo-2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,6-dimethoxyphenyl)methanol
PubChem CID124706599
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name(4-bromo-2,6-dimethoxyphenyl)methanol
SMILESCOc1cc(Br)cc(OC)c1CO
InChIInChI=1S/C9H11BrO3/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4,11H,5H2,1-2H3
InChIKeyDUOUGYRQMLZWNC-UHFFFAOYSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethoxyphenyl)methanol?
The IUPAC name of (4-bromo-2,6-dimethoxyphenyl)methanol (CID 124706599) is (4-bromo-2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2,6-dimethoxyphenyl)methanol is COc1cc(Br)cc(OC)c1CO.
What is the InChIKey of (4-bromo-2,6-dimethoxyphenyl)methanol?
The InChIKey is DUOUGYRQMLZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4,11H,5H2,1-2H3.
What are the key properties of (4-bromo-2,6-dimethoxyphenyl)methanol?
(4-bromo-2,6-dimethoxyphenyl)methanol has a molecular weight of 247.09 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 124706599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).