(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane

C25H26O4 — CID 177315684

IUPAC(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
SMILESCOc1ccc(C(OC(C)[C@@H]2CO2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26O4/c1-18(24-17-28-24)29-25(19-7-5-4-6-8-19,20-9-13-22(26-2)14-10-20)21-11-15-23(27-3)16-12-21/h4-16,18,24H,17H2,1-3H3/t18?,24-/m0/s1
InChIKeyVXONWDVJGVIJFF-LUTIACGYSA-N
MW390.48 g/mol
LogP4.80
Rot. Bonds8

About (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane

(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane (PubChem CID 177315684) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
PubChem CID177315684
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
SMILESCOc1ccc(C(OC(C)[C@@H]2CO2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26O4/c1-18(24-17-28-24)29-25(19-7-5-4-6-8-19,20-9-13-22(26-2)14-10-20)21-11-15-23(27-3)16-12-21/h4-16,18,24H,17H2,1-3H3/t18?,24-/m0/s1
InChIKeyVXONWDVJGVIJFF-LUTIACGYSA-N
XLogP4.80
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.80
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

2-[1-(4-methoxyphenoxy)ethyl]oxirane
CID 20661059
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176862335
5-(1-trityloxyethyl)-1,3-oxazolidin-2-one
CID 69241771
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
2-bromo-2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
CID 66776928
CID 177315687
CID 177315687
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
2-[1-(2-methoxyphenoxy)ethyl]oxirane
CID 22064084
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane?
The IUPAC name of (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane (CID 177315684) is (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane.
What is the SMILES notation for (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane?
The canonical SMILES for (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane is COc1ccc(C(OC(C)[C@@H]2CO2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane?
The InChIKey is VXONWDVJGVIJFF-LUTIACGYSA-N. The full InChI is InChI=1S/C25H26O4/c1-18(24-17-28-24)29-25(19-7-5-4-6-8-19,20-9-13-22(26-2)14-10-20)21-11-15-23(27-3)16-12-21/h4-16,18,24H,17H2,1-3H3/t18?,24-/m0/s1.
What are the key properties of (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane?
(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane has a molecular weight of 390.48 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane is sourced from PubChem (CID 177315684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).