2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one

C16H10ClNO2 — CID 2927543

IUPAC2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one
SMILESO=c1nc(C=Cc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C16H10ClNO2/c17-12-8-5-11(6-9-12)7-10-15-18-16(19)13-3-1-2-4-14(13)20-15/h1-10H
InChIKeyKOEIWNUJWJSLHO-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.01
Rot. Bonds2

About 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one

2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one (PubChem CID 2927543) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one
PubChem CID2927543
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one
SMILESO=c1nc(C=Cc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C16H10ClNO2/c17-12-8-5-11(6-9-12)7-10-15-18-16(19)13-3-1-2-4-14(13)20-15/h1-10H
InChIKeyKOEIWNUJWJSLHO-UHFFFAOYSA-N
XLogP4.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one (CID 2927543) is 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is O=c1nc(C=Cc2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one?
The InChIKey is KOEIWNUJWJSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-12-8-5-11(6-9-12)7-10-15-18-16(19)13-3-1-2-4-14(13)20-15/h1-10H.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one?
2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one has a molecular weight of 283.71 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is sourced from PubChem (CID 2927543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).