4-bromo-3-(dimethoxymethyl)phenol

C9H11BrO3 — CID 67439901

IUPAC4-bromo-3-(dimethoxymethyl)phenol
SMILESCOC(OC)c1cc(O)ccc1Br
InChIInChI=1S/C9H11BrO3/c1-12-9(13-2)7-5-6(11)3-4-8(7)10/h3-5,9,11H,1-2H3
InChIKeyCCGXUHXFCISVNC-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.45
Rot. Bonds3

About 4-bromo-3-(dimethoxymethyl)phenol

4-bromo-3-(dimethoxymethyl)phenol (PubChem CID 67439901) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is 4-bromo-3-(dimethoxymethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(dimethoxymethyl)phenol
PubChem CID67439901
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name4-bromo-3-(dimethoxymethyl)phenol
SMILESCOC(OC)c1cc(O)ccc1Br
InChIInChI=1S/C9H11BrO3/c1-12-9(13-2)7-5-6(11)3-4-8(7)10/h3-5,9,11H,1-2H3
InChIKeyCCGXUHXFCISVNC-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-bromo-3-(dimethoxymethyl)phenol?
The IUPAC name of 4-bromo-3-(dimethoxymethyl)phenol (CID 67439901) is 4-bromo-3-(dimethoxymethyl)phenol.
What is the SMILES notation for 4-bromo-3-(dimethoxymethyl)phenol?
The canonical SMILES for 4-bromo-3-(dimethoxymethyl)phenol is COC(OC)c1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethoxymethyl)phenol?
The InChIKey is CCGXUHXFCISVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-12-9(13-2)7-5-6(11)3-4-8(7)10/h3-5,9,11H,1-2H3.
What are the key properties of 4-bromo-3-(dimethoxymethyl)phenol?
4-bromo-3-(dimethoxymethyl)phenol has a molecular weight of 247.09 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethoxymethyl)phenol is sourced from PubChem (CID 67439901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).