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

C16H17NO3 — CID 866782

IUPAC6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc(N2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C16H17NO3/c1-18-14-5-3-13(4-6-14)17-10-12-9-15(19-2)7-8-16(12)20-11-17/h3-9H,10-11H2,1-2H3
InChIKeyFZGXSMPDJWGEPG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.06
Rot. Bonds3

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

6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 866782) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID866782
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCOc1ccc(N2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C16H17NO3/c1-18-14-5-3-13(4-6-14)17-10-12-9-15(19-2)7-8-16(12)20-11-17/h3-9H,10-11H2,1-2H3
InChIKeyFZGXSMPDJWGEPG-UHFFFAOYSA-N
XLogP3.06
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
2',5'-Dimethoxyfentanyl
CID 165361586
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
4-{[(4-Ethoxy-phenyl)-methyl-amino]-methyl}-6-methoxy-chromen-2-one
CID 6485176
6-ethoxy-4-{[(4-ethoxyphenyl)(methyl)amino]methyl}-2H-chromen-2-one
CID 23606545
1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760170
1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine
CID 9863333
1-Ethyl-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10090854
1-(Cyclohexylmethyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10364005
6-tert-butyl-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 938805
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
Cambridge id 5411429
CID 782011

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine (CID 866782) is 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is COc1ccc(N2COc3ccc(OC)cc3C2)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is FZGXSMPDJWGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-18-14-5-3-13(4-6-14)17-10-12-9-15(19-2)7-8-16(12)20-11-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine?
6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 271.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 866782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).