2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine

C21H18FNO2 — CID 72697752

IUPAC2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc(N2Cc3ccccc3OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-24-19-12-10-18(11-13-19)23-14-16-4-2-3-5-20(16)25-21(23)15-6-8-17(22)9-7-15/h2-13,21H,14H2,1H3
InChIKeyKFOPAQXKASYRMP-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine

2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 72697752) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID72697752
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc(N2Cc3ccccc3OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-24-19-12-10-18(11-13-19)23-14-16-4-2-3-5-20(16)25-21(23)15-6-8-17(22)9-7-15/h2-13,21H,14H2,1H3
InChIKeyKFOPAQXKASYRMP-UHFFFAOYSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.93
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-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (CID 72697752) is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is COc1ccc(N2Cc3ccccc3OC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is KFOPAQXKASYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-24-19-12-10-18(11-13-19)23-14-16-4-2-3-5-20(16)25-21(23)15-6-8-17(22)9-7-15/h2-13,21H,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 335.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 72697752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).