2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one

C15H17NO3 — CID 17390923

IUPAC2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one
SMILESCOc1ccc2c(=O)nc(C3CCCCC3)oc2c1
InChIInChI=1S/C15H17NO3/c1-18-11-7-8-12-13(9-11)19-15(16-14(12)17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyPSMBIOFOCJSGLN-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.24
Rot. Bonds2

About 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one

2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one (PubChem CID 17390923) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one
PubChem CID17390923
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one
SMILESCOc1ccc2c(=O)nc(C3CCCCC3)oc2c1
InChIInChI=1S/C15H17NO3/c1-18-11-7-8-12-13(9-11)19-15(16-14(12)17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyPSMBIOFOCJSGLN-UHFFFAOYSA-N
XLogP3.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one?
The IUPAC name of 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one (CID 17390923) is 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one?
The canonical SMILES for 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one is COc1ccc2c(=O)nc(C3CCCCC3)oc2c1.
What is the InChIKey of 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one?
The InChIKey is PSMBIOFOCJSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-11-7-8-12-13(9-11)19-15(16-14(12)17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one?
2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one has a molecular weight of 259.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one is sourced from PubChem (CID 17390923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).