1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene

C10H11Br3O2 — CID 107745815

IUPAC1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
SMILESCCOCOc1c(Br)cc(CBr)cc1Br
InChIInChI=1S/C10H11Br3O2/c1-2-14-6-15-10-8(12)3-7(5-11)4-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyIXKSTOADZJEEIJ-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.48
Rot. Bonds5

About 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene

1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene (PubChem CID 107745815) has the molecular formula C10H11Br3O2 and a molecular weight of 402.91 g/mol. Its IUPAC name is 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
PubChem CID107745815
Molecular FormulaC10H11Br3O2
Molecular Weight402.91 g/mol
Exact Mass399.83
IUPAC Name1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
SMILESCCOCOc1c(Br)cc(CBr)cc1Br
InChIInChI=1S/C10H11Br3O2/c1-2-14-6-15-10-8(12)3-7(5-11)4-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyIXKSTOADZJEEIJ-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-4-(ethoxymethoxy)benzoic acid
CID 107738656
1,3-dibromo-5-(bromomethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 107745625
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
CID 67625955
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
1-bromo-5-(chloromethyl)-2-(3-ethoxypropoxy)-3-methoxybenzene
CID 65175709
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
CID 43627312
methyl 3-bromo-5-(bromomethyl)-2-ethoxybenzoate
CID 146456843
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
1-bromo-5-(bromomethyl)-3-ethoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 43627287
5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole
CID 178050969

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene?
The IUPAC name of 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene (CID 107745815) is 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene.
What is the SMILES notation for 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene?
The canonical SMILES for 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene is CCOCOc1c(Br)cc(CBr)cc1Br.
What is the InChIKey of 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene?
The InChIKey is IXKSTOADZJEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3O2/c1-2-14-6-15-10-8(12)3-7(5-11)4-9(10)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene?
1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene has a molecular weight of 402.91 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene is sourced from PubChem (CID 107745815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).