1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol

C14H21BrO2 — CID 115779394

IUPAC1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
SMILESCOc1ccc(CC(O)C(C)C(C)C)cc1Br
InChIInChI=1S/C14H21BrO2/c1-9(2)10(3)13(16)8-11-5-6-14(17-4)12(15)7-11/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeySBZPHIJSKKDKLD-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol

1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol (PubChem CID 115779394) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
PubChem CID115779394
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
SMILESCOc1ccc(CC(O)C(C)C(C)C)cc1Br
InChIInChI=1S/C14H21BrO2/c1-9(2)10(3)13(16)8-11-5-6-14(17-4)12(15)7-11/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeySBZPHIJSKKDKLD-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-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-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712337
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
3-(3-bromo-4-methoxyphenyl)-1,1-diethoxypropan-2-ol
CID 79496145
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(3-bromo-4-methoxyphenyl)-3-methyl-3-methylsulfonylbutan-2-ol
CID 115779392
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol (CID 115779394) is 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol is COc1ccc(CC(O)C(C)C(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol?
The InChIKey is SBZPHIJSKKDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-9(2)10(3)13(16)8-11-5-6-14(17-4)12(15)7-11/h5-7,9-10,13,16H,8H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol?
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol has a molecular weight of 301.22 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol is sourced from PubChem (CID 115779394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).