1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol

C17H19BrO2 — CID 114980288

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H19BrO2/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyMANCMXYKTIFLOI-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol

1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol (PubChem CID 114980288) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
PubChem CID114980288
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H19BrO2/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyMANCMXYKTIFLOI-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)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-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol (CID 114980288) is 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol is COc1cc(Br)ccc1C(O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol?
The InChIKey is MANCMXYKTIFLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-6-12(2)8-13(7-11)9-16(19)15-5-4-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol?
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol has a molecular weight of 335.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 114980288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).