1-bromo-3-phenyl-2-prop-2-enoxybenzene

C15H13BrO — CID 18347636

IUPAC1-bromo-3-phenyl-2-prop-2-enoxybenzene
SMILESC=CCOc1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C15H13BrO/c1-2-11-17-15-13(9-6-10-14(15)16)12-7-4-3-5-8-12/h2-10H,1,11H2
InChIKeyOFPFOUOIWXNERH-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.68
Rot. Bonds4

About 1-bromo-3-phenyl-2-prop-2-enoxybenzene

1-bromo-3-phenyl-2-prop-2-enoxybenzene (PubChem CID 18347636) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-bromo-3-phenyl-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-bromo-3-phenyl-2-prop-2-enoxybenzene
PubChem CID18347636
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name1-bromo-3-phenyl-2-prop-2-enoxybenzene
SMILESC=CCOc1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C15H13BrO/c1-2-11-17-15-13(9-6-10-14(15)16)12-7-4-3-5-8-12/h2-10H,1,11H2
InChIKeyOFPFOUOIWXNERH-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.68
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-phenyl-2-prop-2-enoxybenzene?
The IUPAC name of 1-bromo-3-phenyl-2-prop-2-enoxybenzene (CID 18347636) is 1-bromo-3-phenyl-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-bromo-3-phenyl-2-prop-2-enoxybenzene?
The canonical SMILES for 1-bromo-3-phenyl-2-prop-2-enoxybenzene is C=CCOc1c(Br)cccc1-c1ccccc1.
What is the InChIKey of 1-bromo-3-phenyl-2-prop-2-enoxybenzene?
The InChIKey is OFPFOUOIWXNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-2-11-17-15-13(9-6-10-14(15)16)12-7-4-3-5-8-12/h2-10H,1,11H2.
What are the key properties of 1-bromo-3-phenyl-2-prop-2-enoxybenzene?
1-bromo-3-phenyl-2-prop-2-enoxybenzene has a molecular weight of 289.17 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenyl-2-prop-2-enoxybenzene is sourced from PubChem (CID 18347636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).