(3S,4S)-3-phenoxazin-10-yloxan-4-ol

C17H17NO3 — CID 149266160

IUPAC(3S,4S)-3-phenoxazin-10-yloxan-4-ol
SMILESO[C@H]1CCOC[C@@H]1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H17NO3/c19-15-9-10-20-11-14(15)18-12-5-1-3-7-16(12)21-17-8-4-2-6-13(17)18/h1-8,14-15,19H,9-11H2/t14-,15-/m0/s1
InChIKeyXQENAXJHQKSJDD-GJZGRUSLSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds1

About (3S,4S)-3-phenoxazin-10-yloxan-4-ol

(3S,4S)-3-phenoxazin-10-yloxan-4-ol (PubChem CID 149266160) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S,4S)-3-phenoxazin-10-yloxan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-phenoxazin-10-yloxan-4-ol
PubChem CID149266160
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3S,4S)-3-phenoxazin-10-yloxan-4-ol
SMILESO[C@H]1CCOC[C@@H]1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H17NO3/c19-15-9-10-20-11-14(15)18-12-5-1-3-7-16(12)21-17-8-4-2-6-13(17)18/h1-8,14-15,19H,9-11H2/t14-,15-/m0/s1
InChIKeyXQENAXJHQKSJDD-GJZGRUSLSA-N
XLogP3.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-phenoxazin-10-yloxan-4-ol?
The IUPAC name of (3S,4S)-3-phenoxazin-10-yloxan-4-ol (CID 149266160) is (3S,4S)-3-phenoxazin-10-yloxan-4-ol.
What is the SMILES notation for (3S,4S)-3-phenoxazin-10-yloxan-4-ol?
The canonical SMILES for (3S,4S)-3-phenoxazin-10-yloxan-4-ol is O[C@H]1CCOC[C@@H]1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of (3S,4S)-3-phenoxazin-10-yloxan-4-ol?
The InChIKey is XQENAXJHQKSJDD-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-9-10-20-11-14(15)18-12-5-1-3-7-16(12)21-17-8-4-2-6-13(17)18/h1-8,14-15,19H,9-11H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-3-phenoxazin-10-yloxan-4-ol?
(3S,4S)-3-phenoxazin-10-yloxan-4-ol has a molecular weight of 283.33 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-phenoxazin-10-yloxan-4-ol is sourced from PubChem (CID 149266160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).