(2-bromo-4,5-dimethoxyphenyl)methanol

C9H11BrO3 — CID 618887

IUPAC(2-bromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Br)c(CO)cc1OC
InChIInChI=1S/C9H11BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4,11H,5H2,1-2H3
InChIKeySDZSRNYOXRHPHZ-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.96
Rot. Bonds3

About (2-bromo-4,5-dimethoxyphenyl)methanol

(2-bromo-4,5-dimethoxyphenyl)methanol (PubChem CID 618887) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)methanol
PubChem CID618887
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Br)c(CO)cc1OC
InChIInChI=1S/C9H11BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4,11H,5H2,1-2H3
InChIKeySDZSRNYOXRHPHZ-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 (2-bromo-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)methanol (CID 618887) is (2-bromo-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)methanol is COc1cc(Br)c(CO)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)methanol?
The InChIKey is SDZSRNYOXRHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4,11H,5H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)methanol?
(2-bromo-4,5-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 (2-bromo-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 618887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).