1-(dibromomethyl)-2,3,4-trimethoxybenzene

C10H12Br2O3 — CID 87568528

IUPAC1-(dibromomethyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(C(Br)Br)c(OC)c1OC
InChIInChI=1S/C10H12Br2O3/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,10H,1-3H3
InChIKeyZXWJDVGHPSAHBF-UHFFFAOYSA-N
MW340.01 g/mol
LogP3.50
Rot. Bonds4

About 1-(dibromomethyl)-2,3,4-trimethoxybenzene

1-(dibromomethyl)-2,3,4-trimethoxybenzene (PubChem CID 87568528) has the molecular formula C10H12Br2O3 and a molecular weight of 340.01 g/mol. Its IUPAC name is 1-(dibromomethyl)-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-(dibromomethyl)-2,3,4-trimethoxybenzene
PubChem CID87568528
Molecular FormulaC10H12Br2O3
Molecular Weight340.01 g/mol
Exact Mass337.92
IUPAC Name1-(dibromomethyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(C(Br)Br)c(OC)c1OC
InChIInChI=1S/C10H12Br2O3/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,10H,1-3H3
InChIKeyZXWJDVGHPSAHBF-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.01
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
1-(1-bromo-3,3-dimethylbutyl)-2,3,4-trimethoxybenzene
CID 61096002
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995
1-(4-bromo-3-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 83934039
2-bromo-3-[bromo-(2,3,4-trimethoxyphenyl)methyl]furan
CID 106855607
3-[bromo-(2,3,4-trimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61098951
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
2-[2-bromo-2-(2,3,4-trimethoxyphenyl)ethyl]-1H-imidazole
CID 61095780
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
methyl 2-chloro-2-(2,3,4-trimethoxyphenyl)acetate
CID 62226416

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)-2,3,4-trimethoxybenzene?
The IUPAC name of 1-(dibromomethyl)-2,3,4-trimethoxybenzene (CID 87568528) is 1-(dibromomethyl)-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-(dibromomethyl)-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-(dibromomethyl)-2,3,4-trimethoxybenzene is COc1ccc(C(Br)Br)c(OC)c1OC.
What is the InChIKey of 1-(dibromomethyl)-2,3,4-trimethoxybenzene?
The InChIKey is ZXWJDVGHPSAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O3/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,10H,1-3H3.
What are the key properties of 1-(dibromomethyl)-2,3,4-trimethoxybenzene?
1-(dibromomethyl)-2,3,4-trimethoxybenzene has a molecular weight of 340.01 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)-2,3,4-trimethoxybenzene is sourced from PubChem (CID 87568528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).