2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane

C23H26O4 — CID 21303812

IUPAC2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane
SMILESCc1cc(C2CCC(c3ccc(OC4CO4)c(C)c3)C2)ccc1OC1CO1
InChIInChI=1S/C23H26O4/c1-14-9-16(5-7-20(14)26-22-12-24-22)18-3-4-19(11-18)17-6-8-21(15(2)10-17)27-23-13-25-23/h5-10,18-19,22-23H,3-4,11-13H2,1-2H3
InChIKeyIEMWDJZJJSWSLT-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.82
Rot. Bonds6

About 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane

2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane (PubChem CID 21303812) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane.

Molecular Properties

Compound Name2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane
PubChem CID21303812
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane
SMILESCc1cc(C2CCC(c3ccc(OC4CO4)c(C)c3)C2)ccc1OC1CO1
InChIInChI=1S/C23H26O4/c1-14-9-16(5-7-20(14)26-22-12-24-22)18-3-4-19(11-18)17-6-8-21(15(2)10-17)27-23-13-25-23/h5-10,18-19,22-23H,3-4,11-13H2,1-2H3
InChIKeyIEMWDJZJJSWSLT-UHFFFAOYSA-N
XLogP4.82
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane?
The IUPAC name of 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane (CID 21303812) is 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane.
What is the SMILES notation for 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane?
The canonical SMILES for 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane is Cc1cc(C2CCC(c3ccc(OC4CO4)c(C)c3)C2)ccc1OC1CO1.
What is the InChIKey of 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane?
The InChIKey is IEMWDJZJJSWSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-14-9-16(5-7-20(14)26-22-12-24-22)18-3-4-19(11-18)17-6-8-21(15(2)10-17)27-23-13-25-23/h5-10,18-19,22-23H,3-4,11-13H2,1-2H3.
What are the key properties of 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane?
2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane has a molecular weight of 366.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane is sourced from PubChem (CID 21303812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).