2,4-dibromo-1-(dimethoxymethyl)benzene

C9H10Br2O2 — CID 72706043

IUPAC2,4-dibromo-1-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(Br)cc1Br
InChIInChI=1S/C9H10Br2O2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
InChIKeyUXVWMCQDSXCBBQ-UHFFFAOYSA-N
MW309.99 g/mol
LogP3.50
Rot. Bonds3

About 2,4-dibromo-1-(dimethoxymethyl)benzene

2,4-dibromo-1-(dimethoxymethyl)benzene (PubChem CID 72706043) has the molecular formula C9H10Br2O2 and a molecular weight of 309.99 g/mol. Its IUPAC name is 2,4-dibromo-1-(dimethoxymethyl)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(dimethoxymethyl)benzene
PubChem CID72706043
Molecular FormulaC9H10Br2O2
Molecular Weight309.99 g/mol
Exact Mass307.90
IUPAC Name2,4-dibromo-1-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(Br)cc1Br
InChIInChI=1S/C9H10Br2O2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
InChIKeyUXVWMCQDSXCBBQ-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.50
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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Related Compounds

2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
CID 169138139
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene
CID 142699776
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
1-bromo-4-chloro-2-(dimethoxymethyl)benzene
CID 66704681
2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
CID 107957822
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
4-bromo-1,2-bis(1-methoxypropyl)benzene
CID 68654874
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol
CID 107947627
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(dimethoxymethyl)benzene?
The IUPAC name of 2,4-dibromo-1-(dimethoxymethyl)benzene (CID 72706043) is 2,4-dibromo-1-(dimethoxymethyl)benzene.
What is the SMILES notation for 2,4-dibromo-1-(dimethoxymethyl)benzene?
The canonical SMILES for 2,4-dibromo-1-(dimethoxymethyl)benzene is COC(OC)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(dimethoxymethyl)benzene?
The InChIKey is UXVWMCQDSXCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3.
What are the key properties of 2,4-dibromo-1-(dimethoxymethyl)benzene?
2,4-dibromo-1-(dimethoxymethyl)benzene has a molecular weight of 309.99 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(dimethoxymethyl)benzene is sourced from PubChem (CID 72706043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).