1-bromo-4-phenoxybenzene

C12H9BrO — CID 7565

IUPAC1-bromo-4-phenoxybenzene
SMILESBrc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKeyJDUYPUMQALQRCN-UHFFFAOYSA-N
MW249.11 g/mol
LogP4.24
Rot. Bonds2

About 1-bromo-4-phenoxybenzene

1-bromo-4-phenoxybenzene (PubChem CID 7565) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 1-bromo-4-phenoxybenzene.

Molecular Properties

Compound Name1-bromo-4-phenoxybenzene
PubChem CID7565
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name1-bromo-4-phenoxybenzene
SMILESBrc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKeyJDUYPUMQALQRCN-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenoxybenzene?
The IUPAC name of 1-bromo-4-phenoxybenzene (CID 7565) is 1-bromo-4-phenoxybenzene.
What is the SMILES notation for 1-bromo-4-phenoxybenzene?
The canonical SMILES for 1-bromo-4-phenoxybenzene is Brc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-phenoxybenzene?
The InChIKey is JDUYPUMQALQRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-bromo-4-phenoxybenzene?
1-bromo-4-phenoxybenzene has a molecular weight of 249.11 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenoxybenzene is sourced from PubChem (CID 7565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).