(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane

C37H34O3 — CID 153368265

IUPAC(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H34O3/c1-36(2,28-18-22-33(23-19-28)38-26-35-27-39-35)29-20-24-34(25-21-29)40-37(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25,35H,26-27H2,1-2H3/t35-/m0/s1
InChIKeyTYWQNCWURJVQRO-DHUJRADRSA-N
MW526.68 g/mol
LogP8.16
Rot. Bonds10

About (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane

(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 153368265) has the molecular formula C37H34O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
PubChem CID153368265
Molecular FormulaC37H34O3
Molecular Weight526.68 g/mol
Exact Mass526.25
IUPAC Name(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H34O3/c1-36(2,28-18-22-33(23-19-28)38-26-35-27-39-35)29-20-24-34(25-21-29)40-37(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25,35H,26-27H2,1-2H3/t35-/m0/s1
InChIKeyTYWQNCWURJVQRO-DHUJRADRSA-N
XLogP8.16
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 58.16
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

2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
2-[[4-[2-[4-[1,1-bis[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 87592763
2-[[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59488995
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 161041775
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane
CID 154233131
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane (CID 153368265) is (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane is CC(C)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is TYWQNCWURJVQRO-DHUJRADRSA-N. The full InChI is InChI=1S/C37H34O3/c1-36(2,28-18-22-33(23-19-28)38-26-35-27-39-35)29-20-24-34(25-21-29)40-37(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25,35H,26-27H2,1-2H3/t35-/m0/s1.
What are the key properties of (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 526.68 g/mol, XLogP of 8.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 153368265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).