3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine

C10H11NO2 — CID 20698390

IUPAC3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
SMILESCc1cccc(C2=NOCCO2)c1
InChIInChI=1S/C10H11NO2/c1-8-3-2-4-9(7-8)10-11-13-6-5-12-10/h2-4,7H,5-6H2,1H3
InChIKeyISGALMQUONXWDW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.70
Rot. Bonds1

About 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine

3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine (PubChem CID 20698390) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
PubChem CID20698390
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
SMILESCc1cccc(C2=NOCCO2)c1
InChIInChI=1S/C10H11NO2/c1-8-3-2-4-9(7-8)10-11-13-6-5-12-10/h2-4,7H,5-6H2,1H3
InChIKeyISGALMQUONXWDW-UHFFFAOYSA-N
XLogP1.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-yl-5,6-dihydro-1,4,2-dioxazine
CID 14879541
[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
CID 115060967
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
3-methyl-5-(3-methylphenyl)-2H-pyrrole
CID 143763565
3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060983
2-[3-(3-methylphenyl)phenyl]-1,3-dioxolane
CID 170874298
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine (CID 20698390) is 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine is Cc1cccc(C2=NOCCO2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is ISGALMQUONXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8-3-2-4-9(7-8)10-11-13-6-5-12-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine?
3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 177.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 20698390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).