3-(4-chlorophenyl)-2H-1,4-benzoxazine

C14H10ClNO — CID 12866793

IUPAC3-(4-chlorophenyl)-2H-1,4-benzoxazine
SMILESClc1ccc(C2=Nc3ccccc3OC2)cc1
InChIInChI=1S/C14H10ClNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2
InChIKeyIAGFFEFXDDKFDI-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.85
Rot. Bonds1

About 3-(4-chlorophenyl)-2H-1,4-benzoxazine

3-(4-chlorophenyl)-2H-1,4-benzoxazine (PubChem CID 12866793) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2H-1,4-benzoxazine
PubChem CID12866793
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name3-(4-chlorophenyl)-2H-1,4-benzoxazine
SMILESClc1ccc(C2=Nc3ccccc3OC2)cc1
InChIInChI=1S/C14H10ClNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2
InChIKeyIAGFFEFXDDKFDI-UHFFFAOYSA-N
XLogP3.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-2H-1,4-benzoxazine (CID 12866793) is 3-(4-chlorophenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-2H-1,4-benzoxazine is Clc1ccc(C2=Nc3ccccc3OC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2H-1,4-benzoxazine?
The InChIKey is IAGFFEFXDDKFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2.
What are the key properties of 3-(4-chlorophenyl)-2H-1,4-benzoxazine?
3-(4-chlorophenyl)-2H-1,4-benzoxazine has a molecular weight of 243.69 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 12866793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).