2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane

C24H30O3 — CID 90973642

IUPAC2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane
SMILESCc1cc(C)c(Oc2c(C)cc(C)cc2CCC2CO2)c(CCC2CO2)c1
InChIInChI=1S/C24H30O3/c1-15-9-17(3)23(19(11-15)5-7-21-13-25-21)27-24-18(4)10-16(2)12-20(24)6-8-22-14-26-22/h9-12,21-22H,5-8,13-14H2,1-4H3
InChIKeyFBPNGJHRIXPLIS-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.38
Rot. Bonds8

About 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane

2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane (PubChem CID 90973642) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane
PubChem CID90973642
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane
SMILESCc1cc(C)c(Oc2c(C)cc(C)cc2CCC2CO2)c(CCC2CO2)c1
InChIInChI=1S/C24H30O3/c1-15-9-17(3)23(19(11-15)5-7-21-13-25-21)27-24-18(4)10-16(2)12-20(24)6-8-22-14-26-22/h9-12,21-22H,5-8,13-14H2,1-4H3
InChIKeyFBPNGJHRIXPLIS-UHFFFAOYSA-N
XLogP5.38
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane?
The IUPAC name of 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane (CID 90973642) is 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane.
What is the SMILES notation for 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane?
The canonical SMILES for 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane is Cc1cc(C)c(Oc2c(C)cc(C)cc2CCC2CO2)c(CCC2CO2)c1.
What is the InChIKey of 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane?
The InChIKey is FBPNGJHRIXPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-15-9-17(3)23(19(11-15)5-7-21-13-25-21)27-24-18(4)10-16(2)12-20(24)6-8-22-14-26-22/h9-12,21-22H,5-8,13-14H2,1-4H3.
What are the key properties of 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane?
2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane has a molecular weight of 366.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane is sourced from PubChem (CID 90973642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).