5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol

C13H20O3 — CID 78930532

IUPAC5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
SMILESC[C@H](O)c1ccc(OCCCCCO)cc1
InChIInChI=1S/C13H20O3/c1-11(15)12-5-7-13(8-6-12)16-10-4-2-3-9-14/h5-8,11,14-15H,2-4,9-10H2,1H3/t11-/m0/s1
InChIKeyLOGLMJKUHBURDE-NSHDSACASA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds7

About 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol

5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol (PubChem CID 78930532) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
PubChem CID78930532
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
SMILESC[C@H](O)c1ccc(OCCCCCO)cc1
InChIInChI=1S/C13H20O3/c1-11(15)12-5-7-13(8-6-12)16-10-4-2-3-9-14/h5-8,11,14-15H,2-4,9-10H2,1H3/t11-/m0/s1
InChIKeyLOGLMJKUHBURDE-NSHDSACASA-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

5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol (CID 78930532) is 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol is C[C@H](O)c1ccc(OCCCCCO)cc1.
What is the InChIKey of 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol?
The InChIKey is LOGLMJKUHBURDE-NSHDSACASA-N. The full InChI is InChI=1S/C13H20O3/c1-11(15)12-5-7-13(8-6-12)16-10-4-2-3-9-14/h5-8,11,14-15H,2-4,9-10H2,1H3/t11-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol?
5-[4-[(1S)-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-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 78930532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).