phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol

C21H18O2 — CID 86766825

IUPACphenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol
SMILESOC(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-19(17-9-5-2-6-10-17)21-20(23-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-22H
InChIKeyPYUCAQBTSSUIIJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.53
Rot. Bonds4

About phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol

phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol (PubChem CID 86766825) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol
PubChem CID86766825
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Namephenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol
SMILESOC(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-19(17-9-5-2-6-10-17)21-20(23-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-22H
InChIKeyPYUCAQBTSSUIIJ-UHFFFAOYSA-N
XLogP4.53
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
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 phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol?
The IUPAC name of phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol (CID 86766825) is phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol.
What is the SMILES notation for phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol?
The canonical SMILES for phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol is OC(c1ccccc1)C1OC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol?
The InChIKey is PYUCAQBTSSUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-19(17-9-5-2-6-10-17)21-20(23-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-22H.
What are the key properties of phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol?
phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol has a molecular weight of 302.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(4-phenylphenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 86766825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).