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

C17H19BrO3 — CID 107725514

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H19BrO3/c1-11-7-15(8-12(2)17(11)18)21-10-16(19)13-5-4-6-14(9-13)20-3/h4-9,16,19H,10H2,1-3H3
InChIKeyZKKBCCFQBGOUDX-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.19
Rot. Bonds5

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

2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol (PubChem CID 107725514) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
PubChem CID107725514
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H19BrO3/c1-11-7-15(8-12(2)17(11)18)21-10-16(19)13-5-4-6-14(9-13)20-3/h4-9,16,19H,10H2,1-3H3
InChIKeyZKKBCCFQBGOUDX-UHFFFAOYSA-N
XLogP4.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 112725152
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
CID 81134459
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
1-(3-aminophenyl)-2-(4-chloro-3,5-dimethylphenoxy)ethanol
CID 62267931
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
CID 81137734

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol (CID 107725514) is 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol?
The InChIKey is ZKKBCCFQBGOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-7-15(8-12(2)17(11)18)21-10-16(19)13-5-4-6-14(9-13)20-3/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol?
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol has a molecular weight of 351.24 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 107725514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).