1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone

C15H13NO5 — CID 137297958

IUPAC1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone
SMILESCOC1=CC2(O)Oc3ccccc3N=C2C(C(C)=O)=C1O
InChIInChI=1S/C15H13NO5/c1-8(17)12-13(18)11(20-2)7-15(19)14(12)16-9-5-3-4-6-10(9)21-15/h3-7,18-19H,1-2H3
InChIKeyIWPFPKMJFFCDCP-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.79
Rot. Bonds2

About 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone

1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone (PubChem CID 137297958) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone
PubChem CID137297958
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone
SMILESCOC1=CC2(O)Oc3ccccc3N=C2C(C(C)=O)=C1O
InChIInChI=1S/C15H13NO5/c1-8(17)12-13(18)11(20-2)7-15(19)14(12)16-9-5-3-4-6-10(9)21-15/h3-7,18-19H,1-2H3
InChIKeyIWPFPKMJFFCDCP-UHFFFAOYSA-N
XLogP1.79
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone?
The IUPAC name of 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone (CID 137297958) is 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone?
The canonical SMILES for 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone is COC1=CC2(O)Oc3ccccc3N=C2C(C(C)=O)=C1O.
What is the InChIKey of 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone?
The InChIKey is IWPFPKMJFFCDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-8(17)12-13(18)11(20-2)7-15(19)14(12)16-9-5-3-4-6-10(9)21-15/h3-7,18-19H,1-2H3.
What are the key properties of 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone?
1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone has a molecular weight of 287.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone is sourced from PubChem (CID 137297958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).