8-butoxy-1,4-dimethylphenoxazin-3-one

C18H19NO3 — CID 90435284

IUPAC8-butoxy-1,4-dimethylphenoxazin-3-one
SMILESCCCCOc1ccc2oc3c(C)c(=O)cc(C)c-3nc2c1
InChIInChI=1S/C18H19NO3/c1-4-5-8-21-13-6-7-16-14(10-13)19-17-11(2)9-15(20)12(3)18(17)22-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyIKENEUVAFDJWCP-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.09
Rot. Bonds4

About 8-butoxy-1,4-dimethylphenoxazin-3-one

8-butoxy-1,4-dimethylphenoxazin-3-one (PubChem CID 90435284) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 8-butoxy-1,4-dimethylphenoxazin-3-one.

Molecular Properties

Compound Name8-butoxy-1,4-dimethylphenoxazin-3-one
PubChem CID90435284
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name8-butoxy-1,4-dimethylphenoxazin-3-one
SMILESCCCCOc1ccc2oc3c(C)c(=O)cc(C)c-3nc2c1
InChIInChI=1S/C18H19NO3/c1-4-5-8-21-13-6-7-16-14(10-13)19-17-11(2)9-15(20)12(3)18(17)22-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyIKENEUVAFDJWCP-UHFFFAOYSA-N
XLogP4.09
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-butoxy-1,4-dimethylphenoxazin-3-one?
The IUPAC name of 8-butoxy-1,4-dimethylphenoxazin-3-one (CID 90435284) is 8-butoxy-1,4-dimethylphenoxazin-3-one.
What is the SMILES notation for 8-butoxy-1,4-dimethylphenoxazin-3-one?
The canonical SMILES for 8-butoxy-1,4-dimethylphenoxazin-3-one is CCCCOc1ccc2oc3c(C)c(=O)cc(C)c-3nc2c1.
What is the InChIKey of 8-butoxy-1,4-dimethylphenoxazin-3-one?
The InChIKey is IKENEUVAFDJWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-5-8-21-13-6-7-16-14(10-13)19-17-11(2)9-15(20)12(3)18(17)22-16/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 8-butoxy-1,4-dimethylphenoxazin-3-one?
8-butoxy-1,4-dimethylphenoxazin-3-one has a molecular weight of 297.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-1,4-dimethylphenoxazin-3-one is sourced from PubChem (CID 90435284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).