2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane

C19H20O2 — CID 141222290

IUPAC2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane
SMILESCc1cc(CC2CO2)ccc1-c1ccc(CC2CO2)cc1
InChIInChI=1S/C19H20O2/c1-13-8-15(10-18-12-21-18)4-7-19(13)16-5-2-14(3-6-16)9-17-11-20-17/h2-8,17-18H,9-12H2,1H3
InChIKeyPIYXGKSQMZFPFM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.54
Rot. Bonds5

About 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane

2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane (PubChem CID 141222290) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane
PubChem CID141222290
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane
SMILESCc1cc(CC2CO2)ccc1-c1ccc(CC2CO2)cc1
InChIInChI=1S/C19H20O2/c1-13-8-15(10-18-12-21-18)4-7-19(13)16-5-2-14(3-6-16)9-17-11-20-17/h2-8,17-18H,9-12H2,1H3
InChIKeyPIYXGKSQMZFPFM-UHFFFAOYSA-N
XLogP3.54
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane?
The IUPAC name of 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane (CID 141222290) is 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane is Cc1cc(CC2CO2)ccc1-c1ccc(CC2CO2)cc1.
What is the InChIKey of 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane?
The InChIKey is PIYXGKSQMZFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-8-15(10-18-12-21-18)4-7-19(13)16-5-2-14(3-6-16)9-17-11-20-17/h2-8,17-18H,9-12H2,1H3.
What are the key properties of 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane?
2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane has a molecular weight of 280.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane is sourced from PubChem (CID 141222290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).