[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H26O7 — CID 11442314

IUPAC[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C2OC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C26H26O7/c1-28-19-11-10-17(12-20(19)32-15-16-8-6-5-7-9-16)24-26(33-24)23(27)18-13-21(29-2)25(31-4)22(14-18)30-3/h5-14,24,26H,15H2,1-4H3
InChIKeyUCTFHQIYDHXCOT-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.62
Rot. Bonds10

About [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11442314) has the molecular formula C26H26O7 and a molecular weight of 450.49 g/mol. Its IUPAC name is [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11442314
Molecular FormulaC26H26O7
Molecular Weight450.49 g/mol
Exact Mass450.17
IUPAC Name[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C2OC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C26H26O7/c1-28-19-11-10-17(12-20(19)32-15-16-8-6-5-7-9-16)24-26(33-24)23(27)18-13-21(29-2)25(31-4)22(14-18)30-3/h5-14,24,26H,15H2,1-4H3
InChIKeyUCTFHQIYDHXCOT-UHFFFAOYSA-N
XLogP4.62
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
(2-bromo-3,4,5-trimethoxyphenyl)-[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]methanone
CID 124891664
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trimethoxybenzoate
CID 24827283
methyl (2R,3S)-3-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 15262478
(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 163287277
(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
CID 2781017
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 77138204

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 11442314) is [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(C2OC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UCTFHQIYDHXCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O7/c1-28-19-11-10-17(12-20(19)32-15-16-8-6-5-7-9-16)24-26(33-24)23(27)18-13-21(29-2)25(31-4)22(14-18)30-3/h5-14,24,26H,15H2,1-4H3.
What are the key properties of [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 450.49 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11442314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).