(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane

C24H24O3 — CID 10861318

IUPAC(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
SMILESCOc1ccc(C(OC[C@@H]2O[C@@H]2C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24O3/c1-18-23(27-18)17-26-24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(25-2)16-14-21/h3-16,18,23H,17H2,1-2H3/t18-,23+/m1/s1
InChIKeyCRBIZKJTNDYHSY-JPYJTQIMSA-N
MW360.45 g/mol
LogP4.79
Rot. Bonds7

About (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane

(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane (PubChem CID 10861318) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane.

Molecular Properties

Compound Name(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
PubChem CID10861318
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
SMILESCOc1ccc(C(OC[C@@H]2O[C@@H]2C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24O3/c1-18-23(27-18)17-26-24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(25-2)16-14-21/h3-16,18,23H,17H2,1-2H3/t18-,23+/m1/s1
InChIKeyCRBIZKJTNDYHSY-JPYJTQIMSA-N
XLogP4.79
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
CID 89240141
CID 89240141
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11478258
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol
CID 46919604
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
(5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-3-yloxolan-3-ol
CID 58776111

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane?
The IUPAC name of (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane (CID 10861318) is (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane.
What is the SMILES notation for (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane?
The canonical SMILES for (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane is COc1ccc(C(OC[C@@H]2O[C@@H]2C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane?
The InChIKey is CRBIZKJTNDYHSY-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H24O3/c1-18-23(27-18)17-26-24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(25-2)16-14-21/h3-16,18,23H,17H2,1-2H3/t18-,23+/m1/s1.
What are the key properties of (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane?
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane has a molecular weight of 360.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane is sourced from PubChem (CID 10861318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).