1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene

C10H11BrCl2O2 — CID 163990086

IUPAC1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene
SMILESCCOCCOc1cc(Cl)c(Cl)c(Br)c1
InChIInChI=1S/C10H11BrCl2O2/c1-2-14-3-4-15-7-5-8(11)10(13)9(12)6-7/h5-6H,2-4H2,1H3
InChIKeyTZVJTXREHOZHLU-UHFFFAOYSA-N
MW314.01 g/mol
LogP4.17
Rot. Bonds5

About 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene

1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene (PubChem CID 163990086) has the molecular formula C10H11BrCl2O2 and a molecular weight of 314.01 g/mol. Its IUPAC name is 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene
PubChem CID163990086
Molecular FormulaC10H11BrCl2O2
Molecular Weight314.01 g/mol
Exact Mass311.93
IUPAC Name1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene
SMILESCCOCCOc1cc(Cl)c(Cl)c(Br)c1
InChIInChI=1S/C10H11BrCl2O2/c1-2-14-3-4-15-7-5-8(11)10(13)9(12)6-7/h5-6H,2-4H2,1H3
InChIKeyTZVJTXREHOZHLU-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.01
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
[3-chloro-5-(2-ethoxyethoxy)-2-(2-ethoxyethoxymethyl)phenyl]boronic acid
CID 90458864
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041
1,2,3-trichloro-5-heptoxybenzene
CID 101293566
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
1,2,3-tribromo-5-[2-(3,4,5-tribromophenoxy)ethoxy]benzene
CID 57181302
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
CID 60801262
bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide
CID 146002290

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene?
The IUPAC name of 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene (CID 163990086) is 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene.
What is the SMILES notation for 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene?
The canonical SMILES for 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene is CCOCCOc1cc(Cl)c(Cl)c(Br)c1.
What is the InChIKey of 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene?
The InChIKey is TZVJTXREHOZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2O2/c1-2-14-3-4-15-7-5-8(11)10(13)9(12)6-7/h5-6H,2-4H2,1H3.
What are the key properties of 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene?
1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene has a molecular weight of 314.01 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene is sourced from PubChem (CID 163990086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).