2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane

C19H22O2 — CID 141498552

IUPAC2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane
SMILESCc1c(C)c(C)c(-c2ccccc2)c(OCC2CO2)c1C
InChIInChI=1S/C19H22O2/c1-12-13(2)15(4)19(21-11-17-10-20-17)18(14(12)3)16-8-6-5-7-9-16/h5-9,17H,10-11H2,1-4H3
InChIKeyUSZPUEWHEHIEGC-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.36
Rot. Bonds4

About 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane

2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane (PubChem CID 141498552) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane
PubChem CID141498552
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane
SMILESCc1c(C)c(C)c(-c2ccccc2)c(OCC2CO2)c1C
InChIInChI=1S/C19H22O2/c1-12-13(2)15(4)19(21-11-17-10-20-17)18(14(12)3)16-8-6-5-7-9-16/h5-9,17H,10-11H2,1-4H3
InChIKeyUSZPUEWHEHIEGC-UHFFFAOYSA-N
XLogP4.36
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
1,3,4,5,6,8-hexamethyl-2,7-bis(oxiran-2-ylmethoxy)-9-phenyl-9H-xanthene
CID 58746982
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one
CID 174682179
2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane
CID 143190670
ethene;2-(phenoxymethyl)oxirane
CID 135283522
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 87249691
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
CID 129094050

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane (CID 141498552) is 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane is Cc1c(C)c(C)c(-c2ccccc2)c(OCC2CO2)c1C.
What is the InChIKey of 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane?
The InChIKey is USZPUEWHEHIEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-12-13(2)15(4)19(21-11-17-10-20-17)18(14(12)3)16-8-6-5-7-9-16/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane?
2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane has a molecular weight of 282.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane is sourced from PubChem (CID 141498552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).