1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide

C9H12Br2O — CID 157211395

IUPAC1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
SMILESBr.COc1cc(C)c(Br)cc1C
InChIInChI=1S/C9H11BrO.BrH/c1-6-5-9(11-3)7(2)4-8(6)10;/h4-5H,1-3H3;1H
InChIKeyMGCDABJRSLFJIW-UHFFFAOYSA-N
MW296.00 g/mol
LogP3.65
Rot. Bonds1

About 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide

1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide (PubChem CID 157211395) has the molecular formula C9H12Br2O and a molecular weight of 296.00 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide.

Molecular Properties

Compound Name1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
PubChem CID157211395
Molecular FormulaC9H12Br2O
Molecular Weight296.00 g/mol
Exact Mass293.93
IUPAC Name1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
SMILESBr.COc1cc(C)c(Br)cc1C
InChIInChI=1S/C9H11BrO.BrH/c1-6-5-9(11-3)7(2)4-8(6)10;/h4-5H,1-3H3;1H
InChIKeyMGCDABJRSLFJIW-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
O-(4-bromo-2,5-dimethylphenyl)hydroxylamine
CID 117273115
(2-bromo-5-methoxy-4-methylphenyl)boronic acid
CID 171367143
4-bromo-2-methoxy-5-methylbenzenethiol
CID 130137178
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
CID 168531018
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
3-(2-bromo-5-methoxy-4-methylphenyl)propanal
CID 117395582
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide?
The IUPAC name of 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide (CID 157211395) is 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide.
What is the SMILES notation for 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide?
The canonical SMILES for 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide is Br.COc1cc(C)c(Br)cc1C.
What is the InChIKey of 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide?
The InChIKey is MGCDABJRSLFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO.BrH/c1-6-5-9(11-3)7(2)4-8(6)10;/h4-5H,1-3H3;1H.
What are the key properties of 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide?
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide has a molecular weight of 296.00 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide is sourced from PubChem (CID 157211395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).