(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone

C23H20O4 — CID 7036097

IUPAC(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
SMILESCOc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2ccccc2)c1
InChIInChI=1S/C23H20O4/c1-25-18-12-13-20(26-15-16-8-4-2-5-9-16)19(14-18)21(24)23-22(27-23)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3/t22-,23+/m1/s1
InChIKeyYNZXZSPSRYLTNW-PKTZIBPZSA-N
MW360.41 g/mol
LogP4.60
Rot. Bonds7

About (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone

(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone (PubChem CID 7036097) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
PubChem CID7036097
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
SMILESCOc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2ccccc2)c1
InChIInChI=1S/C23H20O4/c1-25-18-12-13-20(26-15-16-8-4-2-5-9-16)19(14-18)21(24)23-22(27-23)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3/t22-,23+/m1/s1
InChIKeyYNZXZSPSRYLTNW-PKTZIBPZSA-N
XLogP4.60
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036133
[(2S,3R)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036132
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
[(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
(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
CID 2781017
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
[(2S,3S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxiran-2-yl]-(5-fluoro-2-phenylmethoxyphenyl)methanone
CID 1181808

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone (CID 7036097) is (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone is COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2ccccc2)c1.
What is the InChIKey of (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone?
The InChIKey is YNZXZSPSRYLTNW-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H20O4/c1-25-18-12-13-20(26-15-16-8-4-2-5-9-16)19(14-18)21(24)23-22(27-23)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3/t22-,23+/m1/s1.
What are the key properties of (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone?
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 7036097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).