4-(1,3-dioxetan-2-yl)phenol

C8H8O3 — CID 57167752

IUPAC4-(1,3-dioxetan-2-yl)phenol
SMILESOc1ccc(C2OCO2)cc1
InChIInChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)8-10-5-11-8/h1-4,8-9H,5H2
InChIKeySNIHHRUYVRXZJZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.40
Rot. Bonds1

About 4-(1,3-dioxetan-2-yl)phenol

4-(1,3-dioxetan-2-yl)phenol (PubChem CID 57167752) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-(1,3-dioxetan-2-yl)phenol.

Molecular Properties

Compound Name4-(1,3-dioxetan-2-yl)phenol
PubChem CID57167752
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-(1,3-dioxetan-2-yl)phenol
SMILESOc1ccc(C2OCO2)cc1
InChIInChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)8-10-5-11-8/h1-4,8-9H,5H2
InChIKeySNIHHRUYVRXZJZ-UHFFFAOYSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dioxetan-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxetan-2-yl)phenol?
The IUPAC name of 4-(1,3-dioxetan-2-yl)phenol (CID 57167752) is 4-(1,3-dioxetan-2-yl)phenol.
What is the SMILES notation for 4-(1,3-dioxetan-2-yl)phenol?
The canonical SMILES for 4-(1,3-dioxetan-2-yl)phenol is Oc1ccc(C2OCO2)cc1.
What is the InChIKey of 4-(1,3-dioxetan-2-yl)phenol?
The InChIKey is SNIHHRUYVRXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)8-10-5-11-8/h1-4,8-9H,5H2.
What are the key properties of 4-(1,3-dioxetan-2-yl)phenol?
4-(1,3-dioxetan-2-yl)phenol has a molecular weight of 152.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxetan-2-yl)phenol is sourced from PubChem (CID 57167752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).