4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine

C15H13Cl2NO2 — CID 67059916

IUPAC4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc2c(c1)N(c1ccc(Cl)cc1Cl)CCO2
InChIInChI=1S/C15H13Cl2NO2/c1-19-11-3-5-15-14(9-11)18(6-7-20-15)13-4-2-10(16)8-12(13)17/h2-5,8-9H,6-7H2,1H3
InChIKeyZONSPVSCVLVOQZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.53
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine

4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine (PubChem CID 67059916) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine
PubChem CID67059916
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc2c(c1)N(c1ccc(Cl)cc1Cl)CCO2
InChIInChI=1S/C15H13Cl2NO2/c1-19-11-3-5-15-14(9-11)18(6-7-20-15)13-4-2-10(16)8-12(13)17/h2-5,8-9H,6-7H2,1H3
InChIKeyZONSPVSCVLVOQZ-UHFFFAOYSA-N
XLogP4.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine (CID 67059916) is 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine is COc1ccc2c(c1)N(c1ccc(Cl)cc1Cl)CCO2.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZONSPVSCVLVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-19-11-3-5-15-14(9-11)18(6-7-20-15)13-4-2-10(16)8-12(13)17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine?
4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine has a molecular weight of 310.18 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 67059916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).