2-ethoxybenzo[g][1,3]benzoxazin-4-one

C14H11NO3 — CID 69491475

IUPAC2-ethoxybenzo[g][1,3]benzoxazin-4-one
SMILESCCOc1nc(=O)c2cc3ccccc3cc2o1
InChIInChI=1S/C14H11NO3/c1-2-17-14-15-13(16)11-7-9-5-3-4-6-10(9)8-12(11)18-14/h3-8H,2H2,1H3
InChIKeyPPRCZRAKHNTGEY-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.74
Rot. Bonds2

About 2-ethoxybenzo[g][1,3]benzoxazin-4-one

2-ethoxybenzo[g][1,3]benzoxazin-4-one (PubChem CID 69491475) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-ethoxybenzo[g][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name2-ethoxybenzo[g][1,3]benzoxazin-4-one
PubChem CID69491475
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-ethoxybenzo[g][1,3]benzoxazin-4-one
SMILESCCOc1nc(=O)c2cc3ccccc3cc2o1
InChIInChI=1S/C14H11NO3/c1-2-17-14-15-13(16)11-7-9-5-3-4-6-10(9)8-12(11)18-14/h3-8H,2H2,1H3
InChIKeyPPRCZRAKHNTGEY-UHFFFAOYSA-N
XLogP2.74
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzo[g][1,3]benzoxazin-4-one?
The IUPAC name of 2-ethoxybenzo[g][1,3]benzoxazin-4-one (CID 69491475) is 2-ethoxybenzo[g][1,3]benzoxazin-4-one.
What is the SMILES notation for 2-ethoxybenzo[g][1,3]benzoxazin-4-one?
The canonical SMILES for 2-ethoxybenzo[g][1,3]benzoxazin-4-one is CCOc1nc(=O)c2cc3ccccc3cc2o1.
What is the InChIKey of 2-ethoxybenzo[g][1,3]benzoxazin-4-one?
The InChIKey is PPRCZRAKHNTGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-2-17-14-15-13(16)11-7-9-5-3-4-6-10(9)8-12(11)18-14/h3-8H,2H2,1H3.
What are the key properties of 2-ethoxybenzo[g][1,3]benzoxazin-4-one?
2-ethoxybenzo[g][1,3]benzoxazin-4-one has a molecular weight of 241.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzo[g][1,3]benzoxazin-4-one is sourced from PubChem (CID 69491475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).