1,4-bis(bromomethoxymethyl)benzene

C10H12Br2O2 — CID 139953162

IUPAC1,4-bis(bromomethoxymethyl)benzene
SMILESBrCOCc1ccc(COCBr)cc1
InChIInChI=1S/C10H12Br2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2
InChIKeyPBYIBNSPJUREKZ-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.42
Rot. Bonds6

About 1,4-bis(bromomethoxymethyl)benzene

1,4-bis(bromomethoxymethyl)benzene (PubChem CID 139953162) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,4-bis(bromomethoxymethyl)benzene.

Molecular Properties

Compound Name1,4-bis(bromomethoxymethyl)benzene
PubChem CID139953162
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name1,4-bis(bromomethoxymethyl)benzene
SMILESBrCOCc1ccc(COCBr)cc1
InChIInChI=1S/C10H12Br2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2
InChIKeyPBYIBNSPJUREKZ-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
ethane;phenylmethoxymethylbenzene
CID 90943549
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
[4-(2-bromoethoxymethyl)phenyl]boronic acid
CID 119083702
CID 66734377
CID 66734377
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
1-[(Z)-6-bromohex-3-enyl]-4-[[4-[(Z)-6-bromohex-3-enyl]phenyl]methoxymethoxymethoxymethyl]benzene
CID 163288095
1-bromo-3-[(4-methylphenyl)methoxy]propan-2-one
CID 170561700
1-[(3-bromo-2,2-dimethylpropoxy)methyl]-4-chlorobenzene
CID 65124513
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(bromomethoxymethyl)benzene?
The IUPAC name of 1,4-bis(bromomethoxymethyl)benzene (CID 139953162) is 1,4-bis(bromomethoxymethyl)benzene.
What is the SMILES notation for 1,4-bis(bromomethoxymethyl)benzene?
The canonical SMILES for 1,4-bis(bromomethoxymethyl)benzene is BrCOCc1ccc(COCBr)cc1.
What is the InChIKey of 1,4-bis(bromomethoxymethyl)benzene?
The InChIKey is PBYIBNSPJUREKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2.
What are the key properties of 1,4-bis(bromomethoxymethyl)benzene?
1,4-bis(bromomethoxymethyl)benzene has a molecular weight of 324.01 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(bromomethoxymethyl)benzene is sourced from PubChem (CID 139953162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).