2-[5-bromo-2-(methoxymethyl)phenyl]ethanol

C10H13BrO2 — CID 117364057

IUPAC2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(Br)cc1CCO
InChIInChI=1S/C10H13BrO2/c1-13-7-9-2-3-10(11)6-8(9)4-5-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyQUEKTXCRKIFFOE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.13
Rot. Bonds4

About 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol

2-[5-bromo-2-(methoxymethyl)phenyl]ethanol (PubChem CID 117364057) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
PubChem CID117364057
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(Br)cc1CCO
InChIInChI=1S/C10H13BrO2/c1-13-7-9-2-3-10(11)6-8(9)4-5-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyQUEKTXCRKIFFOE-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10641233
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
CID 117364056
2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol
CID 117400978
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
CID 117300085
ethyl 4-bromo-2-(methoxymethyl)benzoate
CID 141482166
3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol
CID 178168952
2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
CID 162503231
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
2-[[5-bromo-2-(methoxymethyl)anilino]methylidene]propanedinitrile
CID 168542800

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol (CID 117364057) is 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol is COCc1ccc(Br)cc1CCO.
What is the InChIKey of 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol?
The InChIKey is QUEKTXCRKIFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-13-7-9-2-3-10(11)6-8(9)4-5-12/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol?
2-[5-bromo-2-(methoxymethyl)phenyl]ethanol has a molecular weight of 245.12 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117364057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).