1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol

C11H15BrO3 — CID 117439689

IUPAC1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(Br)cc(OC)c1C(C)O
InChIInChI=1S/C11H15BrO3/c1-7(13)11-8(6-14-2)4-9(12)5-10(11)15-3/h4-5,7,13H,6H2,1-3H3
InChIKeyGGLAVEASGDBZIR-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol

1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol (PubChem CID 117439689) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
PubChem CID117439689
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(Br)cc(OC)c1C(C)O
InChIInChI=1S/C11H15BrO3/c1-7(13)11-8(6-14-2)4-9(12)5-10(11)15-3/h4-5,7,13H,6H2,1-3H3
InChIKeyGGLAVEASGDBZIR-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
CID 117465285
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-one
CID 117463007
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117465307
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359836
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol (CID 117439689) is 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol is COCc1cc(Br)cc(OC)c1C(C)O.
What is the InChIKey of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol?
The InChIKey is GGLAVEASGDBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-7(13)11-8(6-14-2)4-9(12)5-10(11)15-3/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol?
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol has a molecular weight of 275.14 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117439689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).