1-bromo-3-ethenyl-5-propan-2-yloxybenzene

C11H13BrO — CID 156599987

IUPAC1-bromo-3-ethenyl-5-propan-2-yloxybenzene
SMILESC=Cc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C11H13BrO/c1-4-9-5-10(12)7-11(6-9)13-8(2)3/h4-8H,1H2,2-3H3
InChIKeyOBAJIHUNKANMGK-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.88
Rot. Bonds3

About 1-bromo-3-ethenyl-5-propan-2-yloxybenzene

1-bromo-3-ethenyl-5-propan-2-yloxybenzene (PubChem CID 156599987) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-3-ethenyl-5-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-3-ethenyl-5-propan-2-yloxybenzene
PubChem CID156599987
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-3-ethenyl-5-propan-2-yloxybenzene
SMILESC=Cc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C11H13BrO/c1-4-9-5-10(12)7-11(6-9)13-8(2)3/h4-8H,1H2,2-3H3
InChIKeyOBAJIHUNKANMGK-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethenyl-5-propan-2-yloxybenzene?
The IUPAC name of 1-bromo-3-ethenyl-5-propan-2-yloxybenzene (CID 156599987) is 1-bromo-3-ethenyl-5-propan-2-yloxybenzene.
What is the SMILES notation for 1-bromo-3-ethenyl-5-propan-2-yloxybenzene?
The canonical SMILES for 1-bromo-3-ethenyl-5-propan-2-yloxybenzene is C=Cc1cc(Br)cc(OC(C)C)c1.
What is the InChIKey of 1-bromo-3-ethenyl-5-propan-2-yloxybenzene?
The InChIKey is OBAJIHUNKANMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-4-9-5-10(12)7-11(6-9)13-8(2)3/h4-8H,1H2,2-3H3.
What are the key properties of 1-bromo-3-ethenyl-5-propan-2-yloxybenzene?
1-bromo-3-ethenyl-5-propan-2-yloxybenzene has a molecular weight of 241.13 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethenyl-5-propan-2-yloxybenzene is sourced from PubChem (CID 156599987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).