2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene

C12H15BrO — CID 59921297

IUPAC2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene
SMILESCOC=Cc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C12H15BrO/c1-9(2)11-5-4-10(6-7-14-3)8-12(11)13/h4-9H,1-3H3
InChIKeyBOZAECSYHXPDCI-UHFFFAOYSA-N
MW255.16 g/mol
LogP4.19
Rot. Bonds3

About 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene

2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene (PubChem CID 59921297) has the molecular formula C12H15BrO and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene
PubChem CID59921297
Molecular FormulaC12H15BrO
Molecular Weight255.16 g/mol
Exact Mass254.03
IUPAC Name2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene
SMILESCOC=Cc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C12H15BrO/c1-9(2)11-5-4-10(6-7-14-3)8-12(11)13/h4-9H,1-3H3
InChIKeyBOZAECSYHXPDCI-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene?
The IUPAC name of 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene (CID 59921297) is 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene.
What is the SMILES notation for 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene?
The canonical SMILES for 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene is COC=Cc1ccc(C(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene?
The InChIKey is BOZAECSYHXPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9(2)11-5-4-10(6-7-14-3)8-12(11)13/h4-9H,1-3H3.
What are the key properties of 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene?
2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene has a molecular weight of 255.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxyethenyl)-1-propan-2-ylbenzene is sourced from PubChem (CID 59921297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).