1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene

C14H20Br2O2 — CID 114773077

IUPAC1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene
SMILESCC(C)OCCOC(C)(CBr)c1ccccc1Br
InChIInChI=1S/C14H20Br2O2/c1-11(2)17-8-9-18-14(3,10-15)12-6-4-5-7-13(12)16/h4-7,11H,8-10H2,1-3H3
InChIKeyCNYMNEFURGKYDI-UHFFFAOYSA-N
MW380.12 g/mol
LogP4.50
Rot. Bonds7

About 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene

1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene (PubChem CID 114773077) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene
PubChem CID114773077
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene
SMILESCC(C)OCCOC(C)(CBr)c1ccccc1Br
InChIInChI=1S/C14H20Br2O2/c1-11(2)17-8-9-18-14(3,10-15)12-6-4-5-7-13(12)16/h4-7,11H,8-10H2,1-3H3
InChIKeyCNYMNEFURGKYDI-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene?
The IUPAC name of 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene (CID 114773077) is 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene?
The canonical SMILES for 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene is CC(C)OCCOC(C)(CBr)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene?
The InChIKey is CNYMNEFURGKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-11(2)17-8-9-18-14(3,10-15)12-6-4-5-7-13(12)16/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene?
1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene has a molecular weight of 380.12 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-bromo-2-(2-propan-2-yloxyethoxy)propan-2-yl]benzene is sourced from PubChem (CID 114773077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).