1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene

C9H10Br2O2 — CID 65364520

IUPAC1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
SMILESCOCOc1c(Br)cccc1CBr
InChIInChI=1S/C9H10Br2O2/c1-12-6-13-9-7(5-10)3-2-4-8(9)11/h2-4H,5-6H2,1H3
InChIKeyUMOBTAXGTRWPHJ-UHFFFAOYSA-N
MW309.99 g/mol
LogP3.33
Rot. Bonds4

About 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene

1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene (PubChem CID 65364520) has the molecular formula C9H10Br2O2 and a molecular weight of 309.99 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
PubChem CID65364520
Molecular FormulaC9H10Br2O2
Molecular Weight309.99 g/mol
Exact Mass307.90
IUPAC Name1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
SMILESCOCOc1c(Br)cccc1CBr
InChIInChI=1S/C9H10Br2O2/c1-12-6-13-9-7(5-10)3-2-4-8(9)11/h2-4H,5-6H2,1H3
InChIKeyUMOBTAXGTRWPHJ-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-6-(bromomethyl)phenoxy]acetonitrile
CID 61392074
2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene
CID 61392210
[3-bromo-2-(methoxymethoxy)phenyl]-tert-butyl-dimethylsilane
CID 139719347
1-bromo-3-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methoxy]benzene
CID 63536729
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
4-[2-bromo-6-(bromomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253195
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
1-bromo-3-[4-[3-bromo-2-(ethoxymethoxy)phenyl]butyl]-2-(ethoxymethoxy)benzene
CID 164911940
1-bromo-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564252

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene?
The IUPAC name of 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene (CID 65364520) is 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene?
The canonical SMILES for 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene is COCOc1c(Br)cccc1CBr.
What is the InChIKey of 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene?
The InChIKey is UMOBTAXGTRWPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O2/c1-12-6-13-9-7(5-10)3-2-4-8(9)11/h2-4H,5-6H2,1H3.
What are the key properties of 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene?
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene has a molecular weight of 309.99 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene is sourced from PubChem (CID 65364520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).