2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane

C23H30O2 — CID 143190670

IUPAC2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane
SMILESCc1cccc(C(C)c2c(C)c(C)c(C)c(OCC3CO3)c2C)c1C
InChIInChI=1S/C23H30O2/c1-13-9-8-10-21(14(13)2)18(6)22-16(4)15(3)17(5)23(19(22)7)25-12-20-11-24-20/h8-10,18,20H,11-12H2,1-7H3
InChIKeyHYXYESFINVWFFN-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.47
Rot. Bonds5

About 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane

2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane (PubChem CID 143190670) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane
PubChem CID143190670
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane
SMILESCc1cccc(C(C)c2c(C)c(C)c(C)c(OCC3CO3)c2C)c1C
InChIInChI=1S/C23H30O2/c1-13-9-8-10-21(14(13)2)18(6)22-16(4)15(3)17(5)23(19(22)7)25-12-20-11-24-20/h8-10,18,20H,11-12H2,1-7H3
InChIKeyHYXYESFINVWFFN-UHFFFAOYSA-N
XLogP5.47
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane
CID 141498552
[3-methyl-2-(oxiran-2-ylmethoxy)phenyl] acetate
CID 131876567
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
CID 14810466
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
2-[[4-[4-(oxiran-2-ylmethoxy)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
CID 87443194
2-[[3-(2-methylbutyl)-2-(oxiran-2-ylmethoxy)phenyl]methyl]oxirane
CID 89179632
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane (CID 143190670) is 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane is Cc1cccc(C(C)c2c(C)c(C)c(C)c(OCC3CO3)c2C)c1C.
What is the InChIKey of 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane?
The InChIKey is HYXYESFINVWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-13-9-8-10-21(14(13)2)18(6)22-16(4)15(3)17(5)23(19(22)7)25-12-20-11-24-20/h8-10,18,20H,11-12H2,1-7H3.
What are the key properties of 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane?
2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane has a molecular weight of 338.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(2,3-dimethylphenyl)ethyl]-2,4,5,6-tetramethylphenoxy]methyl]oxirane is sourced from PubChem (CID 143190670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).