1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol

C13H19BrO4 — CID 102948286

IUPAC1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
SMILESCOCCOCCOc1cc(Br)ccc1C(C)O
InChIInChI=1S/C13H19BrO4/c1-10(15)12-4-3-11(14)9-13(12)18-8-7-17-6-5-16-2/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyGERBNGCVZVVGQU-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.54
Rot. Bonds8

About 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol

1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol (PubChem CID 102948286) has the molecular formula C13H19BrO4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
PubChem CID102948286
Molecular FormulaC13H19BrO4
Molecular Weight319.20 g/mol
Exact Mass318.05
IUPAC Name1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
SMILESCOCCOCCOc1cc(Br)ccc1C(C)O
InChIInChI=1S/C13H19BrO4/c1-10(15)12-4-3-11(14)9-13(12)18-8-7-17-6-5-16-2/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyGERBNGCVZVVGQU-UHFFFAOYSA-N
XLogP2.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 102948620
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
CID 102948566
(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol (CID 102948286) is 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol is COCCOCCOc1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol?
The InChIKey is GERBNGCVZVVGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO4/c1-10(15)12-4-3-11(14)9-13(12)18-8-7-17-6-5-16-2/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol?
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol has a molecular weight of 319.20 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 102948286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).