2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane

C18H18O2 — CID 146305548

IUPAC2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane
SMILESCC1(c2ccc(-c3ccc(C4(C)CO4)cc3)cc2)CO1
InChIInChI=1S/C18H18O2/c1-17(11-19-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)18(2)12-20-18/h3-10H,11-12H2,1-2H3
InChIKeyZNEUJITUSDZJRF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane

2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane (PubChem CID 146305548) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane
PubChem CID146305548
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane
SMILESCC1(c2ccc(-c3ccc(C4(C)CO4)cc3)cc2)CO1
InChIInChI=1S/C18H18O2/c1-17(11-19-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)18(2)12-20-18/h3-10H,11-12H2,1-2H3
InChIKeyZNEUJITUSDZJRF-UHFFFAOYSA-N
XLogP3.84
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.84
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-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane?
The IUPAC name of 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane (CID 146305548) is 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane.
What is the SMILES notation for 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane?
The canonical SMILES for 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane is CC1(c2ccc(-c3ccc(C4(C)CO4)cc3)cc2)CO1.
What is the InChIKey of 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane?
The InChIKey is ZNEUJITUSDZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-17(11-19-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)18(2)12-20-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane?
2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane has a molecular weight of 266.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane is sourced from PubChem (CID 146305548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).