5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol

C13H20O3 — CID 63364920

IUPAC5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
SMILESC[C@@H](O)c1ccccc1OCCCCCO
InChIInChI=1S/C13H20O3/c1-11(15)12-7-3-4-8-13(12)16-10-6-2-5-9-14/h3-4,7-8,11,14-15H,2,5-6,9-10H2,1H3/t11-/m1/s1
InChIKeyXJWMVOKNGPLGEY-LLVKDONJSA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds7

About 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol

5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol (PubChem CID 63364920) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
PubChem CID63364920
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
SMILESC[C@@H](O)c1ccccc1OCCCCCO
InChIInChI=1S/C13H20O3/c1-11(15)12-7-3-4-8-13(12)16-10-6-2-5-9-14/h3-4,7-8,11,14-15H,2,5-6,9-10H2,1H3/t11-/m1/s1
InChIKeyXJWMVOKNGPLGEY-LLVKDONJSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-(2-propoxyphenyl)ethanol
CID 43503976
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol (CID 63364920) is 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol is C[C@@H](O)c1ccccc1OCCCCCO.
What is the InChIKey of 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol?
The InChIKey is XJWMVOKNGPLGEY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O3/c1-11(15)12-7-3-4-8-13(12)16-10-6-2-5-9-14/h3-4,7-8,11,14-15H,2,5-6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol?
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 63364920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).