1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol

C18H21BrO2 — CID 105084143

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCOc1ccc(Br)c(C(O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21BrO2/c1-11-7-12(2)15(13(3)8-11)10-18(20)16-9-14(21-4)5-6-17(16)19/h5-9,18,20H,10H2,1-4H3
InChIKeyJQJJXLGVLNEEIJ-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.66
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 105084143) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID105084143
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCOc1ccc(Br)c(C(O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21BrO2/c1-11-7-12(2)15(13(3)8-11)10-18(20)16-9-14(21-4)5-6-17(16)19/h5-9,18,20H,10H2,1-4H3
InChIKeyJQJJXLGVLNEEIJ-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol 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-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
CID 65313400
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 65434522
3-bromo-1-(2-bromo-5-methoxyphenyl)propane-1,2-diol
CID 171861209
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
1-(2-bromo-5-methoxyphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 105104739
2-(1,3-benzoxazol-2-yl)-1-(2-bromo-5-methoxyphenyl)ethanol
CID 66460264
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 105084143) is 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol is COc1ccc(Br)c(C(O)Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is JQJJXLGVLNEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-11-7-12(2)15(13(3)8-11)10-18(20)16-9-14(21-4)5-6-17(16)19/h5-9,18,20H,10H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 349.27 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 105084143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).