1-(2-bromo-3,6-dimethoxyphenyl)ethanol

C10H13BrO3 — CID 117406483

IUPAC1-(2-bromo-3,6-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(C)O)c1Br
InChIInChI=1S/C10H13BrO3/c1-6(12)9-7(13-2)4-5-8(14-3)10(9)11/h4-6,12H,1-3H3
InChIKeyHPAWZKBLTRNERN-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-bromo-3,6-dimethoxyphenyl)ethanol

1-(2-bromo-3,6-dimethoxyphenyl)ethanol (PubChem CID 117406483) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-(2-bromo-3,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3,6-dimethoxyphenyl)ethanol
PubChem CID117406483
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name1-(2-bromo-3,6-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(C)O)c1Br
InChIInChI=1S/C10H13BrO3/c1-6(12)9-7(13-2)4-5-8(14-3)10(9)11/h4-6,12H,1-3H3
InChIKeyHPAWZKBLTRNERN-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 164894852
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 117411724
1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
CID 171366869
1-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 58223484
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,6-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-3,6-dimethoxyphenyl)ethanol (CID 117406483) is 1-(2-bromo-3,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3,6-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(C)O)c1Br.
What is the InChIKey of 1-(2-bromo-3,6-dimethoxyphenyl)ethanol?
The InChIKey is HPAWZKBLTRNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-6(12)9-7(13-2)4-5-8(14-3)10(9)11/h4-6,12H,1-3H3.
What are the key properties of 1-(2-bromo-3,6-dimethoxyphenyl)ethanol?
1-(2-bromo-3,6-dimethoxyphenyl)ethanol has a molecular weight of 261.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117406483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).