1-bromo-5-(bromomethyl)-2,3-diethoxybenzene

C11H14Br2O2 — CID 43627282

IUPAC1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
SMILESCCOc1cc(CBr)cc(Br)c1OCC
InChIInChI=1S/C11H14Br2O2/c1-3-14-10-6-8(7-12)5-9(13)11(10)15-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyNIOURPWKXHHJLX-UHFFFAOYSA-N
MW338.04 g/mol
LogP4.14
Rot. Bonds5

About 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene

1-bromo-5-(bromomethyl)-2,3-diethoxybenzene (PubChem CID 43627282) has the molecular formula C11H14Br2O2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
PubChem CID43627282
Molecular FormulaC11H14Br2O2
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
SMILESCCOc1cc(CBr)cc(Br)c1OCC
InChIInChI=1S/C11H14Br2O2/c1-3-14-10-6-8(7-12)5-9(13)11(10)15-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyNIOURPWKXHHJLX-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 54.14
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-bromo-5-(bromomethyl)-3-ethoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 43627287
1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene
CID 114013775
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
CID 43627312
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methyloxolane
CID 103135379
3-(3-bromo-4,5-diethoxyphenyl)propanoic acid
CID 20987137
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722948

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene?
The IUPAC name of 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene (CID 43627282) is 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene.
What is the SMILES notation for 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene?
The canonical SMILES for 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene is CCOc1cc(CBr)cc(Br)c1OCC.
What is the InChIKey of 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene?
The InChIKey is NIOURPWKXHHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2/c1-3-14-10-6-8(7-12)5-9(13)11(10)15-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene?
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene has a molecular weight of 338.04 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(bromomethyl)-2,3-diethoxybenzene is sourced from PubChem (CID 43627282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).