1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene

C12H16Br2O3 — CID 43622794

IUPAC1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
SMILESCCOCCOc1c(Br)cc(CBr)cc1OC
InChIInChI=1S/C12H16Br2O3/c1-3-16-4-5-17-12-10(14)6-9(8-13)7-11(12)15-2/h6-7H,3-5,8H2,1-2H3
InChIKeyFCCDVGSCEDLACR-UHFFFAOYSA-N
MW368.07 g/mol
LogP3.77
Rot. Bonds7

About 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene

1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene (PubChem CID 43622794) has the molecular formula C12H16Br2O3 and a molecular weight of 368.07 g/mol. Its IUPAC name is 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
PubChem CID43622794
Molecular FormulaC12H16Br2O3
Molecular Weight368.07 g/mol
Exact Mass365.95
IUPAC Name1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
SMILESCCOCCOc1c(Br)cc(CBr)cc1OC
InChIInChI=1S/C12H16Br2O3/c1-3-16-4-5-17-12-10(14)6-9(8-13)7-11(12)15-2/h6-7H,3-5,8H2,1-2H3
InChIKeyFCCDVGSCEDLACR-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-(bromomethyl)-3-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490499
1-bromo-5-(chloromethyl)-2-(3-ethoxypropoxy)-3-methoxybenzene
CID 65175709
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
1-bromo-5-(bromomethyl)-2-(3-fluoropropoxy)-3-methoxybenzene
CID 81114817
1-[3-bromo-5-methoxy-4-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449961
[3-bromo-4-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 54856586
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906399
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
1-bromo-5-(bromomethyl)-3-methoxy-2-(2-phenylethoxy)benzene
CID 43622757
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
5-(bromomethyl)-1,3-dimethoxy-2-[2-(3-methylbutoxy)ethoxy]benzene
CID 61484428
1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
CID 107745815

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene?
The IUPAC name of 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene (CID 43622794) is 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene?
The canonical SMILES for 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene is CCOCCOc1c(Br)cc(CBr)cc1OC.
What is the InChIKey of 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene?
The InChIKey is FCCDVGSCEDLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O3/c1-3-16-4-5-17-12-10(14)6-9(8-13)7-11(12)15-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene?
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene has a molecular weight of 368.07 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene is sourced from PubChem (CID 43622794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).