(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane

C24H24O4 — CID 71608137

IUPAC(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
SMILESCOc1ccc(C(OC[C@@H]2CO2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24O4/c1-25-21-12-8-19(9-13-21)24(28-17-23-16-27-23,18-6-4-3-5-7-18)20-10-14-22(26-2)15-11-20/h3-15,23H,16-17H2,1-2H3/t23-/m0/s1
InChIKeyFZSJJLUEBOLEBN-QHCPKHFHSA-N
MW376.45 g/mol
LogP4.41
Rot. Bonds8

About (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane (PubChem CID 71608137) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
PubChem CID71608137
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
SMILESCOc1ccc(C(OC[C@@H]2CO2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24O4/c1-25-21-12-8-19(9-13-21)24(28-17-23-16-27-23,18-6-4-3-5-7-18)20-10-14-22(26-2)15-11-20/h3-15,23H,16-17H2,1-2H3/t23-/m0/s1
InChIKeyFZSJJLUEBOLEBN-QHCPKHFHSA-N
XLogP4.41
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
CID 168862216
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
[(2S,3R,4S)-2-acetyloxy-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] acetate
CID 23244298
CID 89240141
CID 89240141
(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953
2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
CID 58690199
4-(benzenesulfonyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,3-dihydrofuran
CID 15480614
(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
CID 68719586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane (CID 71608137) is (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane is COc1ccc(C(OC[C@@H]2CO2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane?
The InChIKey is FZSJJLUEBOLEBN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24O4/c1-25-21-12-8-19(9-13-21)24(28-17-23-16-27-23,18-6-4-3-5-7-18)20-10-14-22(26-2)15-11-20/h3-15,23H,16-17H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane?
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane has a molecular weight of 376.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane is sourced from PubChem (CID 71608137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).