6-chloro-2-phenyl-4H-3,1-benzoxazine

C14H10ClNO — CID 102290950

IUPAC6-chloro-2-phenyl-4H-3,1-benzoxazine
SMILESClc1ccc2c(c1)COC(c1ccccc1)=N2
InChIInChI=1S/C14H10ClNO/c15-12-6-7-13-11(8-12)9-17-14(16-13)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDOSBLXFFEDBCFU-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.95
Rot. Bonds1

About 6-chloro-2-phenyl-4H-3,1-benzoxazine

6-chloro-2-phenyl-4H-3,1-benzoxazine (PubChem CID 102290950) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-2-phenyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-phenyl-4H-3,1-benzoxazine
PubChem CID102290950
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name6-chloro-2-phenyl-4H-3,1-benzoxazine
SMILESClc1ccc2c(c1)COC(c1ccccc1)=N2
InChIInChI=1S/C14H10ClNO/c15-12-6-7-13-11(8-12)9-17-14(16-13)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDOSBLXFFEDBCFU-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-4H-3,1-benzoxazine?
The IUPAC name of 6-chloro-2-phenyl-4H-3,1-benzoxazine (CID 102290950) is 6-chloro-2-phenyl-4H-3,1-benzoxazine.
What is the SMILES notation for 6-chloro-2-phenyl-4H-3,1-benzoxazine?
The canonical SMILES for 6-chloro-2-phenyl-4H-3,1-benzoxazine is Clc1ccc2c(c1)COC(c1ccccc1)=N2.
What is the InChIKey of 6-chloro-2-phenyl-4H-3,1-benzoxazine?
The InChIKey is DOSBLXFFEDBCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-12-6-7-13-11(8-12)9-17-14(16-13)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 6-chloro-2-phenyl-4H-3,1-benzoxazine?
6-chloro-2-phenyl-4H-3,1-benzoxazine has a molecular weight of 243.69 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-4H-3,1-benzoxazine is sourced from PubChem (CID 102290950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).