1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene

C11H14BrClO — CID 73333167

IUPAC1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene
SMILESCCOC(C)(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C11H14BrClO/c1-3-14-11(2,8-12)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyPXZGZJJSVHKKNB-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.99
Rot. Bonds4

About 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene

1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene (PubChem CID 73333167) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene
PubChem CID73333167
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene
SMILESCCOC(C)(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C11H14BrClO/c1-3-14-11(2,8-12)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyPXZGZJJSVHKKNB-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene?
The IUPAC name of 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene (CID 73333167) is 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene?
The canonical SMILES for 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene is CCOC(C)(CBr)c1ccc(Cl)cc1.
What is the InChIKey of 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene?
The InChIKey is PXZGZJJSVHKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-3-14-11(2,8-12)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene?
1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene has a molecular weight of 277.59 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene is sourced from PubChem (CID 73333167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).