oxiran-2-yl-(4-phenoxyphenyl)methanone

C15H12O3 — CID 116826428

IUPACoxiran-2-yl-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CO1
InChIInChI=1S/C15H12O3/c16-15(14-10-17-14)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyLURDYULDYPRFEL-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.06
Rot. Bonds4

About oxiran-2-yl-(4-phenoxyphenyl)methanone

oxiran-2-yl-(4-phenoxyphenyl)methanone (PubChem CID 116826428) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is oxiran-2-yl-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Nameoxiran-2-yl-(4-phenoxyphenyl)methanone
PubChem CID116826428
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Nameoxiran-2-yl-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CO1
InChIInChI=1S/C15H12O3/c16-15(14-10-17-14)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyLURDYULDYPRFEL-UHFFFAOYSA-N
XLogP3.06
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-yl(phenyl)methanone
CID 11788375
2-(4-phenoxybenzoyl)cyclohexane-1-carboxylic acid
CID 78068369
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
4-phenoxybenzoyl bromide
CID 116924551
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[2-(oxirane-2-carbonyl)phenyl]-(oxiran-2-yl)methanone
CID 141300855
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl-(4-phenoxyphenyl)methanone?
The IUPAC name of oxiran-2-yl-(4-phenoxyphenyl)methanone (CID 116826428) is oxiran-2-yl-(4-phenoxyphenyl)methanone.
What is the SMILES notation for oxiran-2-yl-(4-phenoxyphenyl)methanone?
The canonical SMILES for oxiran-2-yl-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)C1CO1.
What is the InChIKey of oxiran-2-yl-(4-phenoxyphenyl)methanone?
The InChIKey is LURDYULDYPRFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(14-10-17-14)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of oxiran-2-yl-(4-phenoxyphenyl)methanone?
oxiran-2-yl-(4-phenoxyphenyl)methanone has a molecular weight of 240.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 116826428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).