[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone

C17H16O4 — CID 11426116

IUPAC[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
SMILESCOCOc1ccccc1C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O4/c1-19-11-20-14-10-6-5-9-13(14)15(18)17-16(21-17)12-7-3-2-4-8-12/h2-10,16-17H,11H2,1H3/t16-,17-/m1/s1
InChIKeyCFCHLWZVBCPJLW-IAGOWNOFSA-N
MW284.31 g/mol
LogP2.99
Rot. Bonds6

About [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone

[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone (PubChem CID 11426116) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
PubChem CID11426116
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
SMILESCOCOc1ccccc1C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O4/c1-19-11-20-14-10-6-5-9-13(14)15(18)17-16(21-17)12-7-3-2-4-8-12/h2-10,16-17H,11H2,1H3/t16-,17-/m1/s1
InChIKeyCFCHLWZVBCPJLW-IAGOWNOFSA-N
XLogP2.99
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(methoxymethoxy)phenyl]-[(2S,3S)-3-(4-nitrophenyl)oxiran-2-yl]methanone
CID 7003958
[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 26985531
(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
CID 2780997
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
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-[4-methoxy-2-(methoxymethoxy)phenyl]methanone
CID 14539344
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767
[4-methoxy-2-(methoxymethoxy)phenyl]-[(2R,3S)-3-(4-nitrophenyl)oxiran-2-yl]methanone
CID 6917438
(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone
CID 578625
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 11139205
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone (CID 11426116) is [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone is COCOc1ccccc1C(=O)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
The InChIKey is CFCHLWZVBCPJLW-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-11-20-14-10-6-5-9-13(14)15(18)17-16(21-17)12-7-3-2-4-8-12/h2-10,16-17H,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone has a molecular weight of 284.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 11426116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).