4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene

C12H14Br2O — CID 63442485

IUPAC4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)C1CC1
InChIInChI=1S/C12H14Br2O/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8/h5-8,12H,2-4H2,1H3
InChIKeyVIFSKYBEDMMHLC-UHFFFAOYSA-N
MW334.05 g/mol
LogP4.69
Rot. Bonds4

About 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene

4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene (PubChem CID 63442485) has the molecular formula C12H14Br2O and a molecular weight of 334.05 g/mol. Its IUPAC name is 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
PubChem CID63442485
Molecular FormulaC12H14Br2O
Molecular Weight334.05 g/mol
Exact Mass331.94
IUPAC Name4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)C1CC1
InChIInChI=1S/C12H14Br2O/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8/h5-8,12H,2-4H2,1H3
InChIKeyVIFSKYBEDMMHLC-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.05
LogP ≤ 54.69
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

(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]oxane
CID 62907272
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
7-[bromo-(5-bromo-2-ethoxyphenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66395777
3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,4,5-trimethyloxolane
CID 65157879
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
CID 107980915
2-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442871
4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
CID 63442742
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene?
The IUPAC name of 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene (CID 63442485) is 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene.
What is the SMILES notation for 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene?
The canonical SMILES for 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene is CCOc1ccc(Br)cc1C(Br)C1CC1.
What is the InChIKey of 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene?
The InChIKey is VIFSKYBEDMMHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8/h5-8,12H,2-4H2,1H3.
What are the key properties of 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene?
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene has a molecular weight of 334.05 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene is sourced from PubChem (CID 63442485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).