3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one

C16H11NO3 — CID 135419063

IUPAC3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-10,18H/b14-10-
InChIKeyKDNJHCOMTTUDDG-UVTDQMKNSA-N
MW265.27 g/mol
LogP3.24
Rot. Bonds2

About 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one

3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one (PubChem CID 135419063) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one
PubChem CID135419063
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-10,18H/b14-10-
InChIKeyKDNJHCOMTTUDDG-UVTDQMKNSA-N
XLogP3.24
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one (CID 135419063) is 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one is O=c1oc2ccccc2nc1/C=C(\O)c1ccccc1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one?
The InChIKey is KDNJHCOMTTUDDG-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-10,18H/b14-10-.
What are the key properties of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one?
3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one has a molecular weight of 265.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzoxazin-2-one is sourced from PubChem (CID 135419063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).