2-bromo-4-phenoxy-1-prop-2-enoxybenzene

C15H13BrO2 — CID 10852095

IUPAC2-bromo-4-phenoxy-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(Oc2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO2/c1-2-10-17-15-9-8-13(11-14(15)16)18-12-6-4-3-5-7-12/h2-9,11H,1,10H2
InChIKeyMIEQWDZKGFHBET-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.81
Rot. Bonds5

About 2-bromo-4-phenoxy-1-prop-2-enoxybenzene

2-bromo-4-phenoxy-1-prop-2-enoxybenzene (PubChem CID 10852095) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-bromo-4-phenoxy-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name2-bromo-4-phenoxy-1-prop-2-enoxybenzene
PubChem CID10852095
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-bromo-4-phenoxy-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(Oc2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO2/c1-2-10-17-15-9-8-13(11-14(15)16)18-12-6-4-3-5-7-12/h2-9,11H,1,10H2
InChIKeyMIEQWDZKGFHBET-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-bromo-4-phenoxy-1-prop-2-enoxybenzene?
The IUPAC name of 2-bromo-4-phenoxy-1-prop-2-enoxybenzene (CID 10852095) is 2-bromo-4-phenoxy-1-prop-2-enoxybenzene.
What is the SMILES notation for 2-bromo-4-phenoxy-1-prop-2-enoxybenzene?
The canonical SMILES for 2-bromo-4-phenoxy-1-prop-2-enoxybenzene is C=CCOc1ccc(Oc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-phenoxy-1-prop-2-enoxybenzene?
The InChIKey is MIEQWDZKGFHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-2-10-17-15-9-8-13(11-14(15)16)18-12-6-4-3-5-7-12/h2-9,11H,1,10H2.
What are the key properties of 2-bromo-4-phenoxy-1-prop-2-enoxybenzene?
2-bromo-4-phenoxy-1-prop-2-enoxybenzene has a molecular weight of 305.17 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenoxy-1-prop-2-enoxybenzene is sourced from PubChem (CID 10852095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).