2,3-bis(oxiran-2-ylmethyl)phenol

C12H14O3 — CID 19029836

IUPAC2,3-bis(oxiran-2-ylmethyl)phenol
SMILESOc1cccc(CC2CO2)c1CC1CO1
InChIInChI=1S/C12H14O3/c13-12-3-1-2-8(4-9-6-14-9)11(12)5-10-7-15-10/h1-3,9-10,13H,4-7H2
InChIKeyOADXMEGHQNDJHQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.27
Rot. Bonds4

About 2,3-bis(oxiran-2-ylmethyl)phenol

2,3-bis(oxiran-2-ylmethyl)phenol (PubChem CID 19029836) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3-bis(oxiran-2-ylmethyl)phenol.

Molecular Properties

Compound Name2,3-bis(oxiran-2-ylmethyl)phenol
PubChem CID19029836
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2,3-bis(oxiran-2-ylmethyl)phenol
SMILESOc1cccc(CC2CO2)c1CC1CO1
InChIInChI=1S/C12H14O3/c13-12-3-1-2-8(4-9-6-14-9)11(12)5-10-7-15-10/h1-3,9-10,13H,4-7H2
InChIKeyOADXMEGHQNDJHQ-UHFFFAOYSA-N
XLogP1.27
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 2,3-bis(oxiran-2-ylmethyl)phenol?
The IUPAC name of 2,3-bis(oxiran-2-ylmethyl)phenol (CID 19029836) is 2,3-bis(oxiran-2-ylmethyl)phenol.
What is the SMILES notation for 2,3-bis(oxiran-2-ylmethyl)phenol?
The canonical SMILES for 2,3-bis(oxiran-2-ylmethyl)phenol is Oc1cccc(CC2CO2)c1CC1CO1.
What is the InChIKey of 2,3-bis(oxiran-2-ylmethyl)phenol?
The InChIKey is OADXMEGHQNDJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12-3-1-2-8(4-9-6-14-9)11(12)5-10-7-15-10/h1-3,9-10,13H,4-7H2.
What are the key properties of 2,3-bis(oxiran-2-ylmethyl)phenol?
2,3-bis(oxiran-2-ylmethyl)phenol has a molecular weight of 206.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(oxiran-2-ylmethyl)phenol is sourced from PubChem (CID 19029836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).