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

C16H11NO3 — CID 135442904

IUPAC2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C(\O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-15-17-13-9-5-4-8-12(13)16(19)20-15/h1-10,18H/b14-10-
InChIKeyWBWFSPYTLKFEMS-UVTDQMKNSA-N
MW265.27 g/mol
LogP3.24
Rot. Bonds2

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

2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one (PubChem CID 135442904) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one
PubChem CID135442904
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C(\O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-15-17-13-9-5-4-8-12(13)16(19)20-15/h1-10,18H/b14-10-
InChIKeyWBWFSPYTLKFEMS-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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Related Compounds

N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 10400687
2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one
CID 59140862
2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041
2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione
CID 135408332
CID 68568728
CID 68568728
actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one
CID 59122433
2-(trideuteriomethyl)-3,1-benzoxazin-4-one
CID 71312753
2-(methylamino)-3,1-benzoxazin-4-one
CID 10241309
2-(bromomethyl)-3,1-benzoxazin-4-one
CID 6451966
(E)-3-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methylprop-2-enoic acid
CID 66737259
2-[2-(5-nitrothiophen-2-yl)ethenyl]-3,1-benzoxazin-4-one
CID 3121275

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one (CID 135442904) is 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one is O=c1oc(/C=C(\O)c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one?
The InChIKey is WBWFSPYTLKFEMS-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-15-17-13-9-5-4-8-12(13)16(19)20-15/h1-10,18H/b14-10-.
What are the key properties of 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one?
2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-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 2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 135442904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).