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

C14H22O3 — CID 78931048

IUPAC5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
SMILESCC[C@@H](O)c1ccccc1OCCCCCO
InChIInChI=1S/C14H22O3/c1-2-13(16)12-8-4-5-9-14(12)17-11-7-3-6-10-15/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3/t13-/m1/s1
InChIKeyTUYYZCXEMPYEDD-CYBMUJFWSA-N
MW238.33 g/mol
LogP2.67
Rot. Bonds8

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

5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol (PubChem CID 78931048) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
PubChem CID78931048
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
SMILESCC[C@@H](O)c1ccccc1OCCCCCO
InChIInChI=1S/C14H22O3/c1-2-13(16)12-8-4-5-9-14(12)17-11-7-3-6-10-15/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3/t13-/m1/s1
InChIKeyTUYYZCXEMPYEDD-CYBMUJFWSA-N
XLogP2.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.67
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-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol
CID 23779044
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol (CID 78931048) is 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol is CC[C@@H](O)c1ccccc1OCCCCCO.
What is the InChIKey of 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol?
The InChIKey is TUYYZCXEMPYEDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-13(16)12-8-4-5-9-14(12)17-11-7-3-6-10-15/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol?
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 78931048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).