1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol

C13H19BrO3 — CID 55134769

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCOc1cc(Br)c(C(O)C(C)(C)C)cc1OC
InChIInChI=1S/C13H19BrO3/c1-13(2,3)12(15)8-6-10(16-4)11(17-5)7-9(8)14/h6-7,12,15H,1-5H3
InChIKeyLXLLPNJEMHTYNT-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol

1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 55134769) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
PubChem CID55134769
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCOc1cc(Br)c(C(O)C(C)(C)C)cc1OC
InChIInChI=1S/C13H19BrO3/c1-13(2,3)12(15)8-6-10(16-4)11(17-5)7-9(8)14/h6-7,12,15H,1-5H3
InChIKeyLXLLPNJEMHTYNT-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol 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-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
2-(aminomethyl)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylbutan-1-ol
CID 79135066
(1S)-1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171239119
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
1-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-4,5-dimethoxybenzene
CID 63832973
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropanoate
CID 171245821
1-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 105057055
methyl 3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865302
1-bromo-2-(1-bromo-3,5,5-trimethylhexyl)-4,5-dimethoxybenzene
CID 63440778

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol (CID 55134769) is 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol is COc1cc(Br)c(C(O)C(C)(C)C)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is LXLLPNJEMHTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-13(2,3)12(15)8-6-10(16-4)11(17-5)7-9(8)14/h6-7,12,15H,1-5H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 55134769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).