2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol

C15H14BrClO3 — CID 112725152

IUPAC2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H14BrClO3/c1-19-12-4-2-3-10(7-12)14(18)9-20-15-6-5-11(17)8-13(15)16/h2-8,14,18H,9H2,1H3
InChIKeyUWASLHYAKXWOHC-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.22
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol

2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol (PubChem CID 112725152) has the molecular formula C15H14BrClO3 and a molecular weight of 357.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
PubChem CID112725152
Molecular FormulaC15H14BrClO3
Molecular Weight357.63 g/mol
Exact Mass355.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H14BrClO3/c1-19-12-4-2-3-10(7-12)14(18)9-20-15-6-5-11(17)8-13(15)16/h2-8,14,18H,9H2,1H3
InChIKeyUWASLHYAKXWOHC-UHFFFAOYSA-N
XLogP4.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]benzonitrile
CID 81135278
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol (CID 112725152) is 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol?
The InChIKey is UWASLHYAKXWOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3/c1-19-12-4-2-3-10(7-12)14(18)9-20-15-6-5-11(17)8-13(15)16/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol?
2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol has a molecular weight of 357.63 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 112725152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).