2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol

C13H19BrO4 — CID 142343970

IUPAC2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol
SMILESCOc1cc(C(C)(C)OCCO)cc(OC)c1Br
InChIInChI=1S/C13H19BrO4/c1-13(2,18-6-5-15)9-7-10(16-3)12(14)11(8-9)17-4/h7-8,15H,5-6H2,1-4H3
InChIKeyKOYDPOGFLMYCDN-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.71
Rot. Bonds6

About 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol

2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol (PubChem CID 142343970) has the molecular formula C13H19BrO4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol
PubChem CID142343970
Molecular FormulaC13H19BrO4
Molecular Weight319.20 g/mol
Exact Mass318.05
IUPAC Name2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol
SMILESCOc1cc(C(C)(C)OCCO)cc(OC)c1Br
InChIInChI=1S/C13H19BrO4/c1-13(2,18-6-5-15)9-7-10(16-3)12(14)11(8-9)17-4/h7-8,15H,5-6H2,1-4H3
InChIKeyKOYDPOGFLMYCDN-UHFFFAOYSA-N
XLogP2.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
CID 103772465
4-bromo-3,5-dimethoxyphenol
CID 14339099
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
(3R)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240426
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-bromo-1,3,5-trimethoxybenzene;phosphane
CID 135262838
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
CID 65234980
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171240430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol?
The IUPAC name of 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol (CID 142343970) is 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol.
What is the SMILES notation for 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol?
The canonical SMILES for 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol is COc1cc(C(C)(C)OCCO)cc(OC)c1Br.
What is the InChIKey of 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol?
The InChIKey is KOYDPOGFLMYCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO4/c1-13(2,18-6-5-15)9-7-10(16-3)12(14)11(8-9)17-4/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol?
2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol has a molecular weight of 319.20 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-3,5-dimethoxyphenyl)propan-2-yloxy]ethanol is sourced from PubChem (CID 142343970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).