3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine

C16H16ClNO2 — CID 943883

IUPAC3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine
SMILESCCOc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C16H16ClNO2/c1-2-19-15-7-8-16-12(9-15)10-18(11-20-16)14-5-3-13(17)4-6-14/h3-9H,2,10-11H2,1H3
InChIKeyQXVJHKHKFWCAAY-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.10
Rot. Bonds3

About 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine

3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine (PubChem CID 943883) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine
PubChem CID943883
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine
SMILESCCOc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C16H16ClNO2/c1-2-19-15-7-8-16-12(9-15)10-18(11-20-16)14-5-3-13(17)4-6-14/h3-9H,2,10-11H2,1H3
InChIKeyQXVJHKHKFWCAAY-UHFFFAOYSA-N
XLogP4.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine (CID 943883) is 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine is CCOc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2.
What is the InChIKey of 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
The InChIKey is QXVJHKHKFWCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-19-15-7-8-16-12(9-15)10-18(11-20-16)14-5-3-13(17)4-6-14/h3-9H,2,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine?
3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine has a molecular weight of 289.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 943883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).