5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one

C16H9Cl2NO2 — CID 134096982

IUPAC5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C/c2ccccc2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C16H9Cl2NO2/c17-11-7-8-12(18)15-14(11)16(20)21-13(19-15)9-6-10-4-2-1-3-5-10/h1-9H/b9-6+
InChIKeyLHNDCFCGXRUJIK-RMKNXTFCSA-N
MW318.16 g/mol
LogP4.67
Rot. Bonds2

About 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one

5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one (PubChem CID 134096982) has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
PubChem CID134096982
Molecular FormulaC16H9Cl2NO2
Molecular Weight318.16 g/mol
Exact Mass317.00
IUPAC Name5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C/c2ccccc2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C16H9Cl2NO2/c17-11-7-8-12(18)15-14(11)16(20)21-13(19-15)9-6-10-4-2-1-3-5-10/h1-9H/b9-6+
InChIKeyLHNDCFCGXRUJIK-RMKNXTFCSA-N
XLogP4.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
6-iodo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 53329594
5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
CID 11790547
5-(2-methylpropyl)-2-(2-phenylethenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 4046501
5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one
CID 504664
6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one
CID 92993671
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916
2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
CID 175372114
5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole
CID 67697151
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82338003
2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 54121484

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one (CID 134096982) is 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is O=c1oc(/C=C/c2ccccc2)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The InChIKey is LHNDCFCGXRUJIK-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H9Cl2NO2/c17-11-7-8-12(18)15-14(11)16(20)21-13(19-15)9-6-10-4-2-1-3-5-10/h1-9H/b9-6+.
What are the key properties of 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one has a molecular weight of 318.16 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 134096982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).