1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene

C9H9Br3O — CID 11740051

IUPAC1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
SMILESCOc1ccc(Br)c(CBr)c1CBr
InChIInChI=1S/C9H9Br3O/c1-13-9-3-2-8(12)6(4-10)7(9)5-11/h2-3H,4-5H2,1H3
InChIKeyVIXWACSKLULTOE-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.25
Rot. Bonds3

About 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene

1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene (PubChem CID 11740051) has the molecular formula C9H9Br3O and a molecular weight of 372.88 g/mol. Its IUPAC name is 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
PubChem CID11740051
Molecular FormulaC9H9Br3O
Molecular Weight372.88 g/mol
Exact Mass369.82
IUPAC Name1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
SMILESCOc1ccc(Br)c(CBr)c1CBr
InChIInChI=1S/C9H9Br3O/c1-13-9-3-2-8(12)6(4-10)7(9)5-11/h2-3H,4-5H2,1H3
InChIKeyVIXWACSKLULTOE-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
1,2-bis(bromomethyl)-3,4-dimethoxybenzene
CID 154091401
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
3-(bromomethyl)-2-hydroxy-4-methoxybenzonitrile
CID 176569759
1-bromo-3-(isocyanatomethyl)-4-methoxy-2-methylbenzene
CID 117393204
3-(6-bromo-2,3-dimethoxyphenyl)propanal
CID 117434965

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene?
The IUPAC name of 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene (CID 11740051) is 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene?
The canonical SMILES for 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene is COc1ccc(Br)c(CBr)c1CBr.
What is the InChIKey of 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene?
The InChIKey is VIXWACSKLULTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br3O/c1-13-9-3-2-8(12)6(4-10)7(9)5-11/h2-3H,4-5H2,1H3.
What are the key properties of 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene?
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene has a molecular weight of 372.88 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene is sourced from PubChem (CID 11740051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).