2-(oxiran-2-ylmethyl)-3-phenylphenol

C15H14O2 — CID 174834260

IUPAC2-(oxiran-2-ylmethyl)-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1CC1CO1
InChIInChI=1S/C15H14O2/c16-15-8-4-7-13(11-5-2-1-3-6-11)14(15)9-12-10-17-12/h1-8,12,16H,9-10H2
InChIKeyFQFTYRCKIOXWCZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.00
Rot. Bonds3

About 2-(oxiran-2-ylmethyl)-3-phenylphenol

2-(oxiran-2-ylmethyl)-3-phenylphenol (PubChem CID 174834260) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-3-phenylphenol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-3-phenylphenol
PubChem CID174834260
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-(oxiran-2-ylmethyl)-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1CC1CO1
InChIInChI=1S/C15H14O2/c16-15-8-4-7-13(11-5-2-1-3-6-11)14(15)9-12-10-17-12/h1-8,12,16H,9-10H2
InChIKeyFQFTYRCKIOXWCZ-UHFFFAOYSA-N
XLogP3.00
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ylmethyl)-3-phenylphenol?
The IUPAC name of 2-(oxiran-2-ylmethyl)-3-phenylphenol (CID 174834260) is 2-(oxiran-2-ylmethyl)-3-phenylphenol.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-3-phenylphenol?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-3-phenylphenol is Oc1cccc(-c2ccccc2)c1CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-3-phenylphenol?
The InChIKey is FQFTYRCKIOXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-15-8-4-7-13(11-5-2-1-3-6-11)14(15)9-12-10-17-12/h1-8,12,16H,9-10H2.
What are the key properties of 2-(oxiran-2-ylmethyl)-3-phenylphenol?
2-(oxiran-2-ylmethyl)-3-phenylphenol has a molecular weight of 226.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-3-phenylphenol is sourced from PubChem (CID 174834260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).