6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C16H15Cl2NO2 — CID 107676458

IUPAC6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C)cc1C1CNc2cc(Cl)cc(Cl)c2O1
InChIInChI=1S/C16H15Cl2NO2/c1-9-3-4-14(20-2)11(5-9)15-8-19-13-7-10(17)6-12(18)16(13)21-15/h3-7,15,19H,8H2,1-2H3
InChIKeyLHAZKBGSULVNRQ-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.86
Rot. Bonds2

About 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 107676458) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID107676458
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C)cc1C1CNc2cc(Cl)cc(Cl)c2O1
InChIInChI=1S/C16H15Cl2NO2/c1-9-3-4-14(20-2)11(5-9)15-8-19-13-7-10(17)6-12(18)16(13)21-15/h3-7,15,19H,8H2,1-2H3
InChIKeyLHAZKBGSULVNRQ-UHFFFAOYSA-N
XLogP4.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81433582
6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676512
6,8-dichloro-2-thiophen-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 107676538
2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 70100065
3-(2-methoxy-4-methylphenyl)-1,2,3,4-tetrahydrofuro[3,4-b]pyrazine
CID 82377046
2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017960
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
2-(2-methoxy-5-methylphenyl)-3-methylazetidine
CID 116822099
3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane
CID 62520363
4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3997786
CID 161270720
CID 161270720
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 107676458) is 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc(C)cc1C1CNc2cc(Cl)cc(Cl)c2O1.
What is the InChIKey of 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LHAZKBGSULVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-9-3-4-14(20-2)11(5-9)15-8-19-13-7-10(17)6-12(18)16(13)21-15/h3-7,15,19H,8H2,1-2H3.
What are the key properties of 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 324.21 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 107676458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).