1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene

C12H17BrO2 — CID 20811639

IUPAC1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
SMILESCOc1cc(CC(C)C)cc(Br)c1OC
InChIInChI=1S/C12H17BrO2/c1-8(2)5-9-6-10(13)12(15-4)11(7-9)14-3/h6-8H,5H2,1-4H3
InChIKeyVYTLVJDLJSKQFA-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.66
Rot. Bonds4

About 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene

1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene (PubChem CID 20811639) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
PubChem CID20811639
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
SMILESCOc1cc(CC(C)C)cc(Br)c1OC
InChIInChI=1S/C12H17BrO2/c1-8(2)5-9-6-10(13)12(15-4)11(7-9)14-3/h6-8H,5H2,1-4H3
InChIKeyVYTLVJDLJSKQFA-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene 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

2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4,5-dimethoxyphenyl)acetaldehyde
CID 59259548
2-(3-bromo-4,5-dimethoxyphenyl)acetonitrile
CID 54857282
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463534
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569253
3-(3-bromo-4,5-dimethoxyphenyl)-2-phenylpropanoic acid
CID 20989563
(3-bromo-4,5-dimethoxyphenyl)methanesulfonamide
CID 165443466
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
1-bromo-2,3-dimethoxy-5-(methylsulfonylmethyl)benzene
CID 47471698
5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
CID 67359347
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene?
The IUPAC name of 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene (CID 20811639) is 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene.
What is the SMILES notation for 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene?
The canonical SMILES for 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene is COc1cc(CC(C)C)cc(Br)c1OC.
What is the InChIKey of 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene?
The InChIKey is VYTLVJDLJSKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8(2)5-9-6-10(13)12(15-4)11(7-9)14-3/h6-8H,5H2,1-4H3.
What are the key properties of 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene?
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene has a molecular weight of 273.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene is sourced from PubChem (CID 20811639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).