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

C10H12Br2O2 — CID 15760230

IUPAC1,4-bis(bromomethyl)-2,3-dimethoxybenzene
SMILESCOc1c(CBr)ccc(CBr)c1OC
InChIInChI=1S/C10H12Br2O2/c1-13-9-7(5-11)3-4-8(6-12)10(9)14-2/h3-4H,5-6H2,1-2H3
InChIKeyLNGRQUARTUIUNT-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.49
Rot. Bonds4

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

1,4-bis(bromomethyl)-2,3-dimethoxybenzene (PubChem CID 15760230) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,4-bis(bromomethyl)-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1,4-bis(bromomethyl)-2,3-dimethoxybenzene
PubChem CID15760230
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name1,4-bis(bromomethyl)-2,3-dimethoxybenzene
SMILESCOc1c(CBr)ccc(CBr)c1OC
InChIInChI=1S/C10H12Br2O2/c1-13-9-7(5-11)3-4-8(6-12)10(9)14-2/h3-4H,5-6H2,1-2H3
InChIKeyLNGRQUARTUIUNT-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-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
1,2-bis(bromomethyl)-3,4-dimethoxybenzene
CID 154091401
bis[3-(bromomethyl)-2-methoxy-6-(trifluoromethyl)phenyl]methanone
CID 139698520
7-(bromomethyl)-4-iodo-2-methoxy-1-benzothiophene
CID 130839733
methyl 3,4-bis(bromomethyl)-2-methoxybenzoate
CID 141367538
1-[3-(bromomethyl)-2-methoxyphenyl]propan-1-one
CID 118843636
1,2,4,5-tetrakis(bromomethyl)-3,6-dimethoxybenzene
CID 2748010
3-(bromomethyl)-5-chloro-4-methoxypyridine
CID 130849755
1,4,5,8-tetrakis(bromomethyl)biphenylene
CID 13401426
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(bromomethyl)-2,3-dimethoxybenzene?
The IUPAC name of 1,4-bis(bromomethyl)-2,3-dimethoxybenzene (CID 15760230) is 1,4-bis(bromomethyl)-2,3-dimethoxybenzene.
What is the SMILES notation for 1,4-bis(bromomethyl)-2,3-dimethoxybenzene?
The canonical SMILES for 1,4-bis(bromomethyl)-2,3-dimethoxybenzene is COc1c(CBr)ccc(CBr)c1OC.
What is the InChIKey of 1,4-bis(bromomethyl)-2,3-dimethoxybenzene?
The InChIKey is LNGRQUARTUIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-13-9-7(5-11)3-4-8(6-12)10(9)14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,4-bis(bromomethyl)-2,3-dimethoxybenzene?
1,4-bis(bromomethyl)-2,3-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 1,4-bis(bromomethyl)-2,3-dimethoxybenzene is sourced from PubChem (CID 15760230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).