1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene

C12H15BrO — CID 131866211

IUPAC1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
SMILESCC=Cc1ccccc1OC(C)CBr
InChIInChI=1S/C12H15BrO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-8,10H,9H2,1-2H3
InChIKeyXCJLSSUYXOPMHJ-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.88
Rot. Bonds4

About 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene

1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene (PubChem CID 131866211) has the molecular formula C12H15BrO and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene.

Molecular Properties

Compound Name1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
PubChem CID131866211
Molecular FormulaC12H15BrO
Molecular Weight255.16 g/mol
Exact Mass254.03
IUPAC Name1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
SMILESCC=Cc1ccccc1OC(C)CBr
InChIInChI=1S/C12H15BrO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-8,10H,9H2,1-2H3
InChIKeyXCJLSSUYXOPMHJ-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.88
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-bromopropan-2-yloxy)-2-prop-1-enylbenzene?
The IUPAC name of 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene (CID 131866211) is 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene.
What is the SMILES notation for 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene?
The canonical SMILES for 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene is CC=Cc1ccccc1OC(C)CBr.
What is the InChIKey of 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene?
The InChIKey is XCJLSSUYXOPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene?
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene has a molecular weight of 255.16 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene is sourced from PubChem (CID 131866211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).