2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene

C13H19BrO2 — CID 90065369

IUPAC2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene
SMILESCOC[C@@H](C)COc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H19BrO2/c1-9(7-15-4)8-16-12-5-10(2)13(14)11(3)6-12/h5-6,9H,7-8H2,1-4H3/t9-/m1/s1
InChIKeyBPGUVPSUCSDVBD-SECBINFHSA-N
MW287.20 g/mol
LogP3.73
Rot. Bonds5

About 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene

2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene (PubChem CID 90065369) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene
PubChem CID90065369
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene
SMILESCOC[C@@H](C)COc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H19BrO2/c1-9(7-15-4)8-16-12-5-10(2)13(14)11(3)6-12/h5-6,9H,7-8H2,1-4H3/t9-/m1/s1
InChIKeyBPGUVPSUCSDVBD-SECBINFHSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene 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-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972
3-(4-bromo-3,5-dimethylphenoxy)propane-1,2-diol
CID 66816322
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
2-bromo-5-(5-chloro-3-methylpentoxy)-1,3-dimethylbenzene
CID 107723041
5-(4-bromo-3,5-dimethylphenoxy)-3-methylpentane-1-thiol
CID 107727257
2-(4-bromo-3,5-dimethylphenoxy)acetonitrile
CID 22688454
4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107726759
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene (CID 90065369) is 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene is COC[C@@H](C)COc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene?
The InChIKey is BPGUVPSUCSDVBD-SECBINFHSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-9(7-15-4)8-16-12-5-10(2)13(14)11(3)6-12/h5-6,9H,7-8H2,1-4H3/t9-/m1/s1.
What are the key properties of 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene?
2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene has a molecular weight of 287.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2R)-3-methoxy-2-methylpropoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 90065369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).