2-(2-methoxyphenyl)-2H-1,4-benzoxazine

C15H13NO2 — CID 22752537

IUPAC2-(2-methoxyphenyl)-2H-1,4-benzoxazine
SMILESCOc1ccccc1C1C=Nc2ccccc2O1
InChIInChI=1S/C15H13NO2/c1-17-13-8-4-2-6-11(13)15-10-16-12-7-3-5-9-14(12)18-15/h2-10,15H,1H3
InChIKeyCTTIUNFDNPQXPG-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-methoxyphenyl)-2H-1,4-benzoxazine

2-(2-methoxyphenyl)-2H-1,4-benzoxazine (PubChem CID 22752537) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2H-1,4-benzoxazine
PubChem CID22752537
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2-methoxyphenyl)-2H-1,4-benzoxazine
SMILESCOc1ccccc1C1C=Nc2ccccc2O1
InChIInChI=1S/C15H13NO2/c1-17-13-8-4-2-6-11(13)15-10-16-12-7-3-5-9-14(12)18-15/h2-10,15H,1H3
InChIKeyCTTIUNFDNPQXPG-UHFFFAOYSA-N
XLogP3.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2H-1,4-benzoxazine?
The IUPAC name of 2-(2-methoxyphenyl)-2H-1,4-benzoxazine (CID 22752537) is 2-(2-methoxyphenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 2-(2-methoxyphenyl)-2H-1,4-benzoxazine is COc1ccccc1C1C=Nc2ccccc2O1.
What is the InChIKey of 2-(2-methoxyphenyl)-2H-1,4-benzoxazine?
The InChIKey is CTTIUNFDNPQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-13-8-4-2-6-11(13)15-10-16-12-7-3-5-9-14(12)18-15/h2-10,15H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2H-1,4-benzoxazine?
2-(2-methoxyphenyl)-2H-1,4-benzoxazine has a molecular weight of 239.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 22752537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).