10-[2-(2-chlorophenyl)ethyl]phenoxazine

C20H16ClNO — CID 164666478

IUPAC10-[2-(2-chlorophenyl)ethyl]phenoxazine
SMILESClc1ccccc1CCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H16ClNO/c21-16-8-2-1-7-15(16)13-14-22-17-9-3-5-11-19(17)23-20-12-6-4-10-18(20)22/h1-12H,13-14H2
InChIKeyLHCMLOSAMFYMRX-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.83
Rot. Bonds3

About 10-[2-(2-chlorophenyl)ethyl]phenoxazine

10-[2-(2-chlorophenyl)ethyl]phenoxazine (PubChem CID 164666478) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 10-[2-(2-chlorophenyl)ethyl]phenoxazine.

Molecular Properties

Compound Name10-[2-(2-chlorophenyl)ethyl]phenoxazine
PubChem CID164666478
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name10-[2-(2-chlorophenyl)ethyl]phenoxazine
SMILESClc1ccccc1CCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H16ClNO/c21-16-8-2-1-7-15(16)13-14-22-17-9-3-5-11-19(17)23-20-12-6-4-10-18(20)22/h1-12H,13-14H2
InChIKeyLHCMLOSAMFYMRX-UHFFFAOYSA-N
XLogP5.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-chlorophenyl)ethyl]phenoxazine?
The IUPAC name of 10-[2-(2-chlorophenyl)ethyl]phenoxazine (CID 164666478) is 10-[2-(2-chlorophenyl)ethyl]phenoxazine.
What is the SMILES notation for 10-[2-(2-chlorophenyl)ethyl]phenoxazine?
The canonical SMILES for 10-[2-(2-chlorophenyl)ethyl]phenoxazine is Clc1ccccc1CCN1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[2-(2-chlorophenyl)ethyl]phenoxazine?
The InChIKey is LHCMLOSAMFYMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-16-8-2-1-7-15(16)13-14-22-17-9-3-5-11-19(17)23-20-12-6-4-10-18(20)22/h1-12H,13-14H2.
What are the key properties of 10-[2-(2-chlorophenyl)ethyl]phenoxazine?
10-[2-(2-chlorophenyl)ethyl]phenoxazine has a molecular weight of 321.81 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-chlorophenyl)ethyl]phenoxazine is sourced from PubChem (CID 164666478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).