2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

C19H17NO2 — CID 721212

IUPAC2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESCOc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C19H17NO2/c1-21-16-9-7-15(8-10-16)20-12-18-17-5-3-2-4-14(17)6-11-19(18)22-13-20/h2-11H,12-13H2,1H3
InChIKeyZQJZEKZIAJSEHN-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.20
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 721212) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID721212
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESCOc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C19H17NO2/c1-21-16-9-7-15(8-10-16)20-12-18-17-5-3-2-4-14(17)6-11-19(18)22-13-20/h2-11H,12-13H2,1H3
InChIKeyZQJZEKZIAJSEHN-UHFFFAOYSA-N
XLogP4.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 721212) is 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is COc1ccc(N2COc3ccc4ccccc4c3C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is ZQJZEKZIAJSEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-21-16-9-7-15(8-10-16)20-12-18-17-5-3-2-4-14(17)6-11-19(18)22-13-20/h2-11H,12-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 291.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 721212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).