1,2-bis(bromomethyl)-3,4-dimethoxybenzene

C10H12Br2O2 — CID 154091401

IUPAC1,2-bis(bromomethyl)-3,4-dimethoxybenzene
SMILESCOc1ccc(CBr)c(CBr)c1OC
InChIInChI=1S/C10H12Br2O2/c1-13-9-4-3-7(5-11)8(6-12)10(9)14-2/h3-4H,5-6H2,1-2H3
InChIKeyUWLVSAULHBMUKH-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.49
Rot. Bonds4

About 1,2-bis(bromomethyl)-3,4-dimethoxybenzene

1,2-bis(bromomethyl)-3,4-dimethoxybenzene (PubChem CID 154091401) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,2-bis(bromomethyl)-3,4-dimethoxybenzene.

Molecular Properties

Compound Name1,2-bis(bromomethyl)-3,4-dimethoxybenzene
PubChem CID154091401
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name1,2-bis(bromomethyl)-3,4-dimethoxybenzene
SMILESCOc1ccc(CBr)c(CBr)c1OC
InChIInChI=1S/C10H12Br2O2/c1-13-9-4-3-7(5-11)8(6-12)10(9)14-2/h3-4H,5-6H2,1-2H3
InChIKeyUWLVSAULHBMUKH-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.49
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

1,4-bis(bromomethyl)-2,3-dimethoxybenzene
CID 15760230
methyl 3,4-bis(bromomethyl)-2-methoxybenzoate
CID 141367538
2-[2-(bromomethyl)-3,4-dimethoxyphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 23043950
1,2,4,5-tetrakis(bromomethyl)-3,6-dimethoxybenzene
CID 2748010
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
CID 130934965
2-(2-ethyl-3,4-dimethoxyphenyl)acetonitrile
CID 14346520
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
1-(isocyanatomethyl)-3,4-dimethoxy-2-(methoxymethyl)benzene
CID 117346502
1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
CID 117349006

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(bromomethyl)-3,4-dimethoxybenzene?
The IUPAC name of 1,2-bis(bromomethyl)-3,4-dimethoxybenzene (CID 154091401) is 1,2-bis(bromomethyl)-3,4-dimethoxybenzene.
What is the SMILES notation for 1,2-bis(bromomethyl)-3,4-dimethoxybenzene?
The canonical SMILES for 1,2-bis(bromomethyl)-3,4-dimethoxybenzene is COc1ccc(CBr)c(CBr)c1OC.
What is the InChIKey of 1,2-bis(bromomethyl)-3,4-dimethoxybenzene?
The InChIKey is UWLVSAULHBMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-13-9-4-3-7(5-11)8(6-12)10(9)14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,2-bis(bromomethyl)-3,4-dimethoxybenzene?
1,2-bis(bromomethyl)-3,4-dimethoxybenzene has a molecular weight of 324.01 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(bromomethyl)-3,4-dimethoxybenzene is sourced from PubChem (CID 154091401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).