6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine

C15H15NO2 — CID 23875847

IUPAC6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C15H15NO2/c1-17-14-7-8-15-12(9-14)10-16(11-18-15)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyYATPZPHAAOMJEM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.05
Rot. Bonds2

About 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine

6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 23875847) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID23875847
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C15H15NO2/c1-17-14-7-8-15-12(9-14)10-16(11-18-15)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyYATPZPHAAOMJEM-UHFFFAOYSA-N
XLogP3.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine (CID 23875847) is 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine is COc1ccc2c(c1)CN(c1ccccc1)CO2.
What is the InChIKey of 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is YATPZPHAAOMJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-17-14-7-8-15-12(9-14)10-16(11-18-15)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine?
6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 241.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 23875847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).