8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine

C10H11BrClNO2 — CID 177336657

IUPAC8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1c(Cl)cc2c(c1Br)OCCN2C
InChIInChI=1S/C10H11BrClNO2/c1-13-3-4-15-10-7(13)5-6(12)9(14-2)8(10)11/h5H,3-4H2,1-2H3
InChIKeySLGPHFMECAEUOF-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.94
Rot. Bonds1

About 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine

8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 177336657) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID177336657
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1c(Cl)cc2c(c1Br)OCCN2C
InChIInChI=1S/C10H11BrClNO2/c1-13-3-4-15-10-7(13)5-6(12)9(14-2)8(10)11/h5H,3-4H2,1-2H3
InChIKeySLGPHFMECAEUOF-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 82230773
7-methoxy-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 171788100
methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 10681590
6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 171788147
methyl 6-chloro-7-methoxy-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 171788140
6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid;hydrochloride
CID 70042059
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
[6-chloro-4-[(E)-2-(3,5-difluorophenyl)ethenyl]-7-methoxy-2,3-dihydro-1,4-benzoxazin-8-yl]methanediol
CID 174353580
5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 171580460
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 84704627
4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82230481
5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
CID 23272201

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 177336657) is 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine is COc1c(Cl)cc2c(c1Br)OCCN2C.
What is the InChIKey of 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is SLGPHFMECAEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-13-3-4-15-10-7(13)5-6(12)9(14-2)8(10)11/h5H,3-4H2,1-2H3.
What are the key properties of 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 292.56 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 177336657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).