1-butyl-10H-phenoxazine

C16H17NO — CID 14069330

IUPAC1-butyl-10H-phenoxazine
SMILESCCCCc1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C16H17NO/c1-2-3-7-12-8-6-11-15-16(12)17-13-9-4-5-10-14(13)18-15/h4-6,8-11,17H,2-3,7H2,1H3
InChIKeyDKCCPVNLKOGFPF-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.88
Rot. Bonds3

About 1-butyl-10H-phenoxazine

1-butyl-10H-phenoxazine (PubChem CID 14069330) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-butyl-10H-phenoxazine.

Molecular Properties

Compound Name1-butyl-10H-phenoxazine
PubChem CID14069330
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-butyl-10H-phenoxazine
SMILESCCCCc1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C16H17NO/c1-2-3-7-12-8-6-11-15-16(12)17-13-9-4-5-10-14(13)18-15/h4-6,8-11,17H,2-3,7H2,1H3
InChIKeyDKCCPVNLKOGFPF-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-10H-phenoxazine?
The IUPAC name of 1-butyl-10H-phenoxazine (CID 14069330) is 1-butyl-10H-phenoxazine.
What is the SMILES notation for 1-butyl-10H-phenoxazine?
The canonical SMILES for 1-butyl-10H-phenoxazine is CCCCc1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 1-butyl-10H-phenoxazine?
The InChIKey is DKCCPVNLKOGFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-3-7-12-8-6-11-15-16(12)17-13-9-4-5-10-14(13)18-15/h4-6,8-11,17H,2-3,7H2,1H3.
What are the key properties of 1-butyl-10H-phenoxazine?
1-butyl-10H-phenoxazine has a molecular weight of 239.32 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-10H-phenoxazine is sourced from PubChem (CID 14069330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).