10-(3-chloropropyl)phenoxazine

C15H14ClNO — CID 10083926

IUPAC10-(3-chloropropyl)phenoxazine
SMILESClCCCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14ClNO/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2
InChIKeySYWYQEVHUFKXNI-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.56
Rot. Bonds3

About 10-(3-chloropropyl)phenoxazine

10-(3-chloropropyl)phenoxazine (PubChem CID 10083926) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 10-(3-chloropropyl)phenoxazine.

Molecular Properties

Compound Name10-(3-chloropropyl)phenoxazine
PubChem CID10083926
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name10-(3-chloropropyl)phenoxazine
SMILESClCCCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14ClNO/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2
InChIKeySYWYQEVHUFKXNI-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(3-chloropropyl)phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(3-chloropropyl)phenoxazine?
The IUPAC name of 10-(3-chloropropyl)phenoxazine (CID 10083926) is 10-(3-chloropropyl)phenoxazine.
What is the SMILES notation for 10-(3-chloropropyl)phenoxazine?
The canonical SMILES for 10-(3-chloropropyl)phenoxazine is ClCCCN1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-(3-chloropropyl)phenoxazine?
The InChIKey is SYWYQEVHUFKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2.
What are the key properties of 10-(3-chloropropyl)phenoxazine?
10-(3-chloropropyl)phenoxazine has a molecular weight of 259.74 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chloropropyl)phenoxazine is sourced from PubChem (CID 10083926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).