1-Bromo-2-(methoxymethyl)benzene

C8H9BrO — CID 12927162

IUPAC1-bromo-2-(methoxymethyl)benzene
SMILESCOCC1=CC=CC=C1Br
InChIInChI=1S/C8H9BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyQFAZLCRHLRJNAW-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.30
Rot. Bonds2

About 1-Bromo-2-(methoxymethyl)benzene

1-Bromo-2-(methoxymethyl)benzene (PubChem CID 12927162) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 1-bromo-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-Bromo-2-(methoxymethyl)benzene
PubChem CID12927162
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name1-bromo-2-(methoxymethyl)benzene
SMILESCOCC1=CC=CC=C1Br
InChIInChI=1S/C8H9BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyQFAZLCRHLRJNAW-UHFFFAOYSA-N
XLogP2.30
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity95

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl ethyl ether
CID 10873
Benzyl methyl ether
CID 10869
2-Bromobenzyl alcohol
CID 72850
2-(4-Bromophenyl)oxirane
CID 119460
1-(2-Bromophenyl)ethanol
CID 95455
(Propoxymethyl)benzene
CID 70303
Benzene, ((2-bromoethoxy)methyl)-
CID 73833
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(3-Bromophenyl)oxirane
CID 147193
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
(((1,3-Dibromopropan-2-yl)oxy)methyl)benzene
CID 561824
(4-Bromobenzyloxy)trimethylsilane
CID 598201

Frequently Asked Questions

What is the IUPAC name of 1-Bromo-2-(methoxymethyl)benzene?
The IUPAC name of 1-Bromo-2-(methoxymethyl)benzene (CID 12927162) is 1-bromo-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-Bromo-2-(methoxymethyl)benzene?
The canonical SMILES for 1-Bromo-2-(methoxymethyl)benzene is COCC1=CC=CC=C1Br.
What is the InChIKey of 1-Bromo-2-(methoxymethyl)benzene?
The InChIKey is QFAZLCRHLRJNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3.
What are the key properties of 1-Bromo-2-(methoxymethyl)benzene?
1-Bromo-2-(methoxymethyl)benzene has a molecular weight of 201.06 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Bromo-2-(methoxymethyl)benzene is sourced from PubChem (CID 12927162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).