1-bromo-3-(methoxymethyl)-2-methylbenzene

C9H11BrO — CID 146035197

IUPAC1-bromo-3-(methoxymethyl)-2-methylbenzene
SMILESCOCc1cccc(Br)c1C
InChIInChI=1S/C9H11BrO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6H2,1-2H3
InChIKeyHENVJXIBZFSRPO-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.90
Rot. Bonds2

About 1-bromo-3-(methoxymethyl)-2-methylbenzene

1-bromo-3-(methoxymethyl)-2-methylbenzene (PubChem CID 146035197) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-bromo-3-(methoxymethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-(methoxymethyl)-2-methylbenzene
PubChem CID146035197
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-bromo-3-(methoxymethyl)-2-methylbenzene
SMILESCOCc1cccc(Br)c1C
InChIInChI=1S/C9H11BrO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6H2,1-2H3
InChIKeyHENVJXIBZFSRPO-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(3-Bromophenyl)oxirane
CID 147193
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
2-(4-Bromophenyl)-2-methyloxirane
CID 150702
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1,1'-Biphenyl, 3-bromo-4'-(ethoxymethyl)-
CID 3066125
(3-Bromo-2-methylphenyl)methanol
CID 10035697

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(methoxymethyl)-2-methylbenzene?
The IUPAC name of 1-bromo-3-(methoxymethyl)-2-methylbenzene (CID 146035197) is 1-bromo-3-(methoxymethyl)-2-methylbenzene.
What is the SMILES notation for 1-bromo-3-(methoxymethyl)-2-methylbenzene?
The canonical SMILES for 1-bromo-3-(methoxymethyl)-2-methylbenzene is COCc1cccc(Br)c1C.
What is the InChIKey of 1-bromo-3-(methoxymethyl)-2-methylbenzene?
The InChIKey is HENVJXIBZFSRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-5H,6H2,1-2H3.
What are the key properties of 1-bromo-3-(methoxymethyl)-2-methylbenzene?
1-bromo-3-(methoxymethyl)-2-methylbenzene has a molecular weight of 215.09 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(methoxymethyl)-2-methylbenzene is sourced from PubChem (CID 146035197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).