1-bromo-3-methoxy-2-methylbenzene

C8H9BrO — CID 18505255

IUPAC1-bromo-3-methoxy-2-methylbenzene
SMILESCOc1cccc(Br)c1C
InChIInChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChIKeySBMVNLFBEJAXFY-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.77
Rot. Bonds1

About 1-bromo-3-methoxy-2-methylbenzene

1-bromo-3-methoxy-2-methylbenzene (PubChem CID 18505255) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 1-bromo-3-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-methoxy-2-methylbenzene
PubChem CID18505255
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name1-bromo-3-methoxy-2-methylbenzene
SMILESCOc1cccc(Br)c1C
InChIInChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChIKeySBMVNLFBEJAXFY-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dibromo-3-methoxybenzene
CID 11958056
(3-bromo-2-methylphenoxy)-trimethylsilane
CID 167729403
1-bromo-2-methoxybenzene;ethane
CID 91096433
(3-methoxy-2-methylphenyl) hypoiodite
CID 143394785
1-bromo-3-butoxy-2-methylbenzene
CID 148580780
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene
CID 126754344
2-bromo-6-methoxybenzenecarbothioamide
CID 114882804
1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
CID 84696327
6-bromo-3-methoxy-2-methylaniline
CID 67280395
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
1-bromo-2-methyl-3-(3-methylsulfanylpropoxy)benzene
CID 86697160

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-3-methoxy-2-methylbenzene (CID 18505255) is 1-bromo-3-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-3-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-3-methoxy-2-methylbenzene is COc1cccc(Br)c1C.
What is the InChIKey of 1-bromo-3-methoxy-2-methylbenzene?
The InChIKey is SBMVNLFBEJAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3.
What are the key properties of 1-bromo-3-methoxy-2-methylbenzene?
1-bromo-3-methoxy-2-methylbenzene has a molecular weight of 201.06 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxy-2-methylbenzene is sourced from PubChem (CID 18505255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).