3-bromo-6-methoxy-2-(methoxymethoxy)phenol

C9H11BrO4 — CID 67466846

IUPAC3-bromo-6-methoxy-2-(methoxymethoxy)phenol
SMILESCOCOc1c(Br)ccc(OC)c1O
InChIInChI=1S/C9H11BrO4/c1-12-5-14-9-6(10)3-4-7(13-2)8(9)11/h3-4,11H,5H2,1-2H3
InChIKeyMOSNJIQGOOLWMJ-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.15
Rot. Bonds4

About 3-bromo-6-methoxy-2-(methoxymethoxy)phenol

3-bromo-6-methoxy-2-(methoxymethoxy)phenol (PubChem CID 67466846) has the molecular formula C9H11BrO4 and a molecular weight of 263.09 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2-(methoxymethoxy)phenol.

Molecular Properties

Compound Name3-bromo-6-methoxy-2-(methoxymethoxy)phenol
PubChem CID67466846
Molecular FormulaC9H11BrO4
Molecular Weight263.09 g/mol
Exact Mass261.98
IUPAC Name3-bromo-6-methoxy-2-(methoxymethoxy)phenol
SMILESCOCOc1c(Br)ccc(OC)c1O
InChIInChI=1S/C9H11BrO4/c1-12-5-14-9-6(10)3-4-7(13-2)8(9)11/h3-4,11H,5H2,1-2H3
InChIKeyMOSNJIQGOOLWMJ-UHFFFAOYSA-N
XLogP2.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2-(methoxymethoxy)phenol?
The IUPAC name of 3-bromo-6-methoxy-2-(methoxymethoxy)phenol (CID 67466846) is 3-bromo-6-methoxy-2-(methoxymethoxy)phenol.
What is the SMILES notation for 3-bromo-6-methoxy-2-(methoxymethoxy)phenol?
The canonical SMILES for 3-bromo-6-methoxy-2-(methoxymethoxy)phenol is COCOc1c(Br)ccc(OC)c1O.
What is the InChIKey of 3-bromo-6-methoxy-2-(methoxymethoxy)phenol?
The InChIKey is MOSNJIQGOOLWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO4/c1-12-5-14-9-6(10)3-4-7(13-2)8(9)11/h3-4,11H,5H2,1-2H3.
What are the key properties of 3-bromo-6-methoxy-2-(methoxymethoxy)phenol?
3-bromo-6-methoxy-2-(methoxymethoxy)phenol has a molecular weight of 263.09 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2-(methoxymethoxy)phenol is sourced from PubChem (CID 67466846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).