2-(oxiran-2-yl)phenol;phenol

C14H14O3 — CID 22174141

IUPAC2-(oxiran-2-yl)phenol;phenol
SMILESOc1ccccc1.Oc1ccccc1C1CO1
InChIInChI=1S/C8H8O2.C6H6O/c9-7-4-2-1-3-6(7)8-5-10-8;7-6-4-2-1-3-5-6/h1-4,8-9H,5H2;1-5,7H
InChIKeyWNAZWMFWHDWBSH-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.86
Rot. Bonds1

About 2-(oxiran-2-yl)phenol;phenol

2-(oxiran-2-yl)phenol;phenol (PubChem CID 22174141) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(oxiran-2-yl)phenol;phenol.

Molecular Properties

Compound Name2-(oxiran-2-yl)phenol;phenol
PubChem CID22174141
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(oxiran-2-yl)phenol;phenol
SMILESOc1ccccc1.Oc1ccccc1C1CO1
InChIInChI=1S/C8H8O2.C6H6O/c9-7-4-2-1-3-6(7)8-5-10-8;7-6-4-2-1-3-5-6/h1-4,8-9H,5H2;1-5,7H
InChIKeyWNAZWMFWHDWBSH-UHFFFAOYSA-N
XLogP2.86
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)phenol;phenol?
The IUPAC name of 2-(oxiran-2-yl)phenol;phenol (CID 22174141) is 2-(oxiran-2-yl)phenol;phenol.
What is the SMILES notation for 2-(oxiran-2-yl)phenol;phenol?
The canonical SMILES for 2-(oxiran-2-yl)phenol;phenol is Oc1ccccc1.Oc1ccccc1C1CO1.
What is the InChIKey of 2-(oxiran-2-yl)phenol;phenol?
The InChIKey is WNAZWMFWHDWBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H6O/c9-7-4-2-1-3-6(7)8-5-10-8;7-6-4-2-1-3-5-6/h1-4,8-9H,5H2;1-5,7H.
What are the key properties of 2-(oxiran-2-yl)phenol;phenol?
2-(oxiran-2-yl)phenol;phenol has a molecular weight of 230.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)phenol;phenol is sourced from PubChem (CID 22174141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).