oxetane;phenol

C12H18O3 — CID 67135330

IUPACoxetane;phenol
SMILESC1COC1.C1COC1.Oc1ccccc1
InChIInChI=1S/C6H6O.2C3H6O/c7-6-4-2-1-3-5-6;2*1-2-4-3-1/h1-5,7H;2*1-3H2
InChIKeyQHSCQSOTZXASKU-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds

About oxetane;phenol

oxetane;phenol (PubChem CID 67135330) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is oxetane;phenol.

Molecular Properties

Compound Nameoxetane;phenol
PubChem CID67135330
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameoxetane;phenol
SMILESC1COC1.C1COC1.Oc1ccccc1
InChIInChI=1S/C6H6O.2C3H6O/c7-6-4-2-1-3-5-6;2*1-2-4-3-1/h1-5,7H;2*1-3H2
InChIKeyQHSCQSOTZXASKU-UHFFFAOYSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxetane;phenol?
The IUPAC name of oxetane;phenol (CID 67135330) is oxetane;phenol.
What is the SMILES notation for oxetane;phenol?
The canonical SMILES for oxetane;phenol is C1COC1.C1COC1.Oc1ccccc1.
What is the InChIKey of oxetane;phenol?
The InChIKey is QHSCQSOTZXASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2C3H6O/c7-6-4-2-1-3-5-6;2*1-2-4-3-1/h1-5,7H;2*1-3H2.
What are the key properties of oxetane;phenol?
oxetane;phenol has a molecular weight of 210.27 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetane;phenol is sourced from PubChem (CID 67135330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).