(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone

C25H24O3 — CID 2780997

IUPAC(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
SMILESCC(C)c1ccc(C2OC2C(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H24O3/c1-17(2)19-12-14-20(15-13-19)24-25(28-24)23(26)21-10-6-7-11-22(21)27-16-18-8-4-3-5-9-18/h3-15,17,24-25H,16H2,1-2H3
InChIKeyHBCKFPHXVUCAMA-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.71
Rot. Bonds7

About (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone

(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone (PubChem CID 2780997) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone.

Molecular Properties

Compound Name(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
PubChem CID2780997
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
SMILESCC(C)c1ccc(C2OC2C(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H24O3/c1-17(2)19-12-14-20(15-13-19)24-25(28-24)23(26)21-10-6-7-11-22(21)27-16-18-8-4-3-5-9-18/h3-15,17,24-25H,16H2,1-2H3
InChIKeyHBCKFPHXVUCAMA-UHFFFAOYSA-N
XLogP5.71
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.71
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

[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 26985531
4-[(2S,3R)-3-(2-phenylmethoxybenzoyl)oxiran-2-yl]benzoate
CID 7036125
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 3554885
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
[(2S,3R)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036132
[(2R,3S)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036133
(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
CID 2781017
2-[(4-propan-2-ylphenyl)methoxy]benzoic acid;(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
CID 158933022
[(2S,3S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxiran-2-yl]-(5-fluoro-2-phenylmethoxyphenyl)methanone
CID 1181808
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone?
The IUPAC name of (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone (CID 2780997) is (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone.
What is the SMILES notation for (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone?
The canonical SMILES for (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone is CC(C)c1ccc(C2OC2C(=O)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone?
The InChIKey is HBCKFPHXVUCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-17(2)19-12-14-20(15-13-19)24-25(28-24)23(26)21-10-6-7-11-22(21)27-16-18-8-4-3-5-9-18/h3-15,17,24-25H,16H2,1-2H3.
What are the key properties of (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone?
(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone has a molecular weight of 372.46 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone is sourced from PubChem (CID 2780997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).