1-bromo-3-(2-methylprop-2-enoxy)benzene

C10H11BrO — CID 15816719

IUPAC1-bromo-3-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cccc(Br)c1
InChIInChI=1S/C10H11BrO/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6H,1,7H2,2H3
InChIKeyRCVAQVYQEROXRO-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.40
Rot. Bonds3

About 1-bromo-3-(2-methylprop-2-enoxy)benzene

1-bromo-3-(2-methylprop-2-enoxy)benzene (PubChem CID 15816719) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-3-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-methylprop-2-enoxy)benzene
PubChem CID15816719
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-3-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cccc(Br)c1
InChIInChI=1S/C10H11BrO/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6H,1,7H2,2H3
InChIKeyRCVAQVYQEROXRO-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1-bromo-3-(2-methylprop-2-enoxy)benzene (CID 15816719) is 1-bromo-3-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1-bromo-3-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1-bromo-3-(2-methylprop-2-enoxy)benzene is C=C(C)COc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-methylprop-2-enoxy)benzene?
The InChIKey is RCVAQVYQEROXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6H,1,7H2,2H3.
What are the key properties of 1-bromo-3-(2-methylprop-2-enoxy)benzene?
1-bromo-3-(2-methylprop-2-enoxy)benzene has a molecular weight of 227.10 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 15816719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).