4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol

C13H20O3 — CID 79355173

IUPAC4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
SMILESC[C@@H](O)c1ccccc1OCCC(C)(C)O
InChIInChI=1S/C13H20O3/c1-10(14)11-6-4-5-7-12(11)16-9-8-13(2,3)15/h4-7,10,14-15H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyRHYUDXQBMLUPEQ-SNVBAGLBSA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds5

About 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol

4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 79355173) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
PubChem CID79355173
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
SMILESC[C@@H](O)c1ccccc1OCCC(C)(C)O
InChIInChI=1S/C13H20O3/c1-10(14)11-6-4-5-7-12(11)16-9-8-13(2,3)15/h4-7,10,14-15H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyRHYUDXQBMLUPEQ-SNVBAGLBSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
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1-(2-propoxyphenyl)ethanol
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1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol (CID 79355173) is 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol is C[C@@H](O)c1ccccc1OCCC(C)(C)O.
What is the InChIKey of 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is RHYUDXQBMLUPEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(14)11-6-4-5-7-12(11)16-9-8-13(2,3)15/h4-7,10,14-15H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol?
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79355173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).