(2-bromo-1-propan-2-yloxyethyl)benzene

C11H15BrO — CID 12636343

IUPAC(2-bromo-1-propan-2-yloxyethyl)benzene
SMILESCC(C)OC(CBr)c1ccccc1
InChIInChI=1S/C11H15BrO/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyFICMACAJGUTHRD-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.55
Rot. Bonds4

About (2-bromo-1-propan-2-yloxyethyl)benzene

(2-bromo-1-propan-2-yloxyethyl)benzene (PubChem CID 12636343) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is (2-bromo-1-propan-2-yloxyethyl)benzene.

Molecular Properties

Compound Name(2-bromo-1-propan-2-yloxyethyl)benzene
PubChem CID12636343
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name(2-bromo-1-propan-2-yloxyethyl)benzene
SMILESCC(C)OC(CBr)c1ccccc1
InChIInChI=1S/C11H15BrO/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyFICMACAJGUTHRD-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.55
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 (2-bromo-1-propan-2-yloxyethyl)benzene?
The IUPAC name of (2-bromo-1-propan-2-yloxyethyl)benzene (CID 12636343) is (2-bromo-1-propan-2-yloxyethyl)benzene.
What is the SMILES notation for (2-bromo-1-propan-2-yloxyethyl)benzene?
The canonical SMILES for (2-bromo-1-propan-2-yloxyethyl)benzene is CC(C)OC(CBr)c1ccccc1.
What is the InChIKey of (2-bromo-1-propan-2-yloxyethyl)benzene?
The InChIKey is FICMACAJGUTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of (2-bromo-1-propan-2-yloxyethyl)benzene?
(2-bromo-1-propan-2-yloxyethyl)benzene has a molecular weight of 243.14 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-propan-2-yloxyethyl)benzene is sourced from PubChem (CID 12636343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).