10-(4-bromophenyl)phenoxazine

C18H12BrNO — CID 13272485

IUPAC10-(4-bromophenyl)phenoxazine
SMILESBrc1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H
InChIKeyKHHIALZHPCMMMT-UHFFFAOYSA-N
MW338.20 g/mol
LogP6.02
Rot. Bonds1

About 10-(4-bromophenyl)phenoxazine

10-(4-bromophenyl)phenoxazine (PubChem CID 13272485) has the molecular formula C18H12BrNO and a molecular weight of 338.20 g/mol. Its IUPAC name is 10-(4-bromophenyl)phenoxazine.

Molecular Properties

Compound Name10-(4-bromophenyl)phenoxazine
PubChem CID13272485
Molecular FormulaC18H12BrNO
Molecular Weight338.20 g/mol
Exact Mass337.01
IUPAC Name10-(4-bromophenyl)phenoxazine
SMILESBrc1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H
InChIKeyKHHIALZHPCMMMT-UHFFFAOYSA-N
XLogP6.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.20
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)phenoxazine?
The IUPAC name of 10-(4-bromophenyl)phenoxazine (CID 13272485) is 10-(4-bromophenyl)phenoxazine.
What is the SMILES notation for 10-(4-bromophenyl)phenoxazine?
The canonical SMILES for 10-(4-bromophenyl)phenoxazine is Brc1ccc(N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10-(4-bromophenyl)phenoxazine?
The InChIKey is KHHIALZHPCMMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H.
What are the key properties of 10-(4-bromophenyl)phenoxazine?
10-(4-bromophenyl)phenoxazine has a molecular weight of 338.20 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)phenoxazine is sourced from PubChem (CID 13272485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).