1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol

C16H17BrO4 — CID 104707975

IUPAC1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
SMILESCOc1ccc(Oc2cccc(OC)c2C(C)O)c(Br)c1
InChIInChI=1S/C16H17BrO4/c1-10(18)16-14(20-3)5-4-6-15(16)21-13-8-7-11(19-2)9-12(13)17/h4-10,18H,1-3H3
InChIKeyMAHAUDMZAXPQPS-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.31
Rot. Bonds5

About 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol

1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol (PubChem CID 104707975) has the molecular formula C16H17BrO4 and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
PubChem CID104707975
Molecular FormulaC16H17BrO4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
SMILESCOc1ccc(Oc2cccc(OC)c2C(C)O)c(Br)c1
InChIInChI=1S/C16H17BrO4/c1-10(18)16-14(20-3)5-4-6-15(16)21-13-8-7-11(19-2)9-12(13)17/h4-10,18H,1-3H3
InChIKeyMAHAUDMZAXPQPS-UHFFFAOYSA-N
XLogP4.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol (CID 104707975) is 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol is COc1ccc(Oc2cccc(OC)c2C(C)O)c(Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol?
The InChIKey is MAHAUDMZAXPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO4/c1-10(18)16-14(20-3)5-4-6-15(16)21-13-8-7-11(19-2)9-12(13)17/h4-10,18H,1-3H3.
What are the key properties of 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol?
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol has a molecular weight of 353.21 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol is sourced from PubChem (CID 104707975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).