2-pentyloxetane;phenol

C14H22O2 — CID 67793049

IUPAC2-pentyloxetane;phenol
SMILESCCCCCC1CCO1.Oc1ccccc1
InChIInChI=1S/C8H16O.C6H6O/c1-2-3-4-5-8-6-7-9-8;7-6-4-2-1-3-5-6/h8H,2-7H2,1H3;1-5,7H
InChIKeyXUZLWONOFPWNQT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.75
Rot. Bonds4

About 2-pentyloxetane;phenol

2-pentyloxetane;phenol (PubChem CID 67793049) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-pentyloxetane;phenol.

Molecular Properties

Compound Name2-pentyloxetane;phenol
PubChem CID67793049
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-pentyloxetane;phenol
SMILESCCCCCC1CCO1.Oc1ccccc1
InChIInChI=1S/C8H16O.C6H6O/c1-2-3-4-5-8-6-7-9-8;7-6-4-2-1-3-5-6/h8H,2-7H2,1H3;1-5,7H
InChIKeyXUZLWONOFPWNQT-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octadecyloxetane
CID 168986267
ethanol;2-pentadecyloxetane
CID 68938646
dodecane;phenol
CID 157210063
3-acetyl-4-hydroxychromen-2-one;2-pentyloxetane
CID 118321744
2-tetradecyloxolane
CID 10683364
2-(7-phenyloctyl)oxetane
CID 173415617
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
CID 139607830
2-(9-ethylpentadecyl)oxetane
CID 173032138
hexadecan-1-amine;phenol
CID 175347138
hexylphosphane;phenol
CID 174816842
tetrakis(nonane);phenol;zirconium(4+)
CID 88632131

Frequently Asked Questions

What is the IUPAC name of 2-pentyloxetane;phenol?
The IUPAC name of 2-pentyloxetane;phenol (CID 67793049) is 2-pentyloxetane;phenol.
What is the SMILES notation for 2-pentyloxetane;phenol?
The canonical SMILES for 2-pentyloxetane;phenol is CCCCCC1CCO1.Oc1ccccc1.
What is the InChIKey of 2-pentyloxetane;phenol?
The InChIKey is XUZLWONOFPWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C6H6O/c1-2-3-4-5-8-6-7-9-8;7-6-4-2-1-3-5-6/h8H,2-7H2,1H3;1-5,7H.
What are the key properties of 2-pentyloxetane;phenol?
2-pentyloxetane;phenol has a molecular weight of 222.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyloxetane;phenol is sourced from PubChem (CID 67793049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).