1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene

C10H11BrCl2O — CID 64995949

IUPAC1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene
SMILESCC(CBr)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11BrCl2O/c1-7(5-11)6-14-9-4-2-3-8(12)10(9)13/h2-4,7H,5-6H2,1H3
InChIKeyXJRLBMXUBJRDAM-UHFFFAOYSA-N
MW298.01 g/mol
LogP4.40
Rot. Bonds4

About 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene

1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene (PubChem CID 64995949) has the molecular formula C10H11BrCl2O and a molecular weight of 298.01 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene
PubChem CID64995949
Molecular FormulaC10H11BrCl2O
Molecular Weight298.01 g/mol
Exact Mass295.94
IUPAC Name1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene
SMILESCC(CBr)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11BrCl2O/c1-7(5-11)6-14-9-4-2-3-8(12)10(9)13/h2-4,7H,5-6H2,1H3
InChIKeyXJRLBMXUBJRDAM-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
CID 70532958
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
1-[2-(bromomethyl)butoxy]-2-chlorobenzene
CID 64995502
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
4-(2,3-dichlorophenoxy)-3-(dimethylamino)butanoic acid
CID 112547485
2-chloro-6-(2-methylbutoxy)benzaldehyde
CID 62104198
(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900
1-bromo-2-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611005
1-bromo-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688899

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene?
The IUPAC name of 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene (CID 64995949) is 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene?
The canonical SMILES for 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene is CC(CBr)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene?
The InChIKey is XJRLBMXUBJRDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2O/c1-7(5-11)6-14-9-4-2-3-8(12)10(9)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene?
1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene has a molecular weight of 298.01 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene is sourced from PubChem (CID 64995949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).