1-bromo-2-(dimethoxymethyl)benzene

C9H11BrO2 — CID 11148943

IUPAC1-bromo-2-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccccc1Br
InChIInChI=1S/C9H11BrO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKeyRXYLXDKWPRPXMI-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.74
Rot. Bonds3

About 1-bromo-2-(dimethoxymethyl)benzene

1-bromo-2-(dimethoxymethyl)benzene (PubChem CID 11148943) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-bromo-2-(dimethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(dimethoxymethyl)benzene
PubChem CID11148943
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name1-bromo-2-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccccc1Br
InChIInChI=1S/C9H11BrO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKeyRXYLXDKWPRPXMI-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-bromo-2-(dimethoxymethyl)benzene?
The IUPAC name of 1-bromo-2-(dimethoxymethyl)benzene (CID 11148943) is 1-bromo-2-(dimethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-2-(dimethoxymethyl)benzene?
The canonical SMILES for 1-bromo-2-(dimethoxymethyl)benzene is COC(OC)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(dimethoxymethyl)benzene?
The InChIKey is RXYLXDKWPRPXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3.
What are the key properties of 1-bromo-2-(dimethoxymethyl)benzene?
1-bromo-2-(dimethoxymethyl)benzene has a molecular weight of 231.09 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(dimethoxymethyl)benzene is sourced from PubChem (CID 11148943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).