1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene

C8H7Br2ClO2 — CID 79529092

IUPAC1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
SMILESCOc1cc(Br)c(OCCl)cc1Br
InChIInChI=1S/C8H7Br2ClO2/c1-12-7-2-6(10)8(13-4-11)3-5(7)9/h2-3H,4H2,1H3
InChIKeyCOCZUPYZYFOAAJ-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.80
Rot. Bonds3

About 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene

1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene (PubChem CID 79529092) has the molecular formula C8H7Br2ClO2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene.

Molecular Properties

Compound Name1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
PubChem CID79529092
Molecular FormulaC8H7Br2ClO2
Molecular Weight330.40 g/mol
Exact Mass327.85
IUPAC Name1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
SMILESCOc1cc(Br)c(OCCl)cc1Br
InChIInChI=1S/C8H7Br2ClO2/c1-12-7-2-6(10)8(13-4-11)3-5(7)9/h2-3H,4H2,1H3
InChIKeyCOCZUPYZYFOAAJ-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.80
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-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
2-(2,5-dibromo-4-methoxyphenoxy)acetaldehyde
CID 79404227
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 79403989
2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
CID 103054885
4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 79406350
1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 114496104
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide
CID 79403949
1,2,4,5-tetrakis(chloromethoxy)benzene
CID 141049013

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene?
The IUPAC name of 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene (CID 79529092) is 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene.
What is the SMILES notation for 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene?
The canonical SMILES for 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene is COc1cc(Br)c(OCCl)cc1Br.
What is the InChIKey of 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene?
The InChIKey is COCZUPYZYFOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2ClO2/c1-12-7-2-6(10)8(13-4-11)3-5(7)9/h2-3H,4H2,1H3.
What are the key properties of 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene?
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene has a molecular weight of 330.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene is sourced from PubChem (CID 79529092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).