2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol

C28H24O3 — CID 134204970

IUPAC2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol
SMILESOc1ccccc1CC1(Cc2ccccc2O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O3/c29-25-17-9-7-11-21(25)19-27(20-22-12-8-10-18-26(22)30)28(31-27,23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-18,29-30H,19-20H2
InChIKeyGMOKBSZDJDZPLY-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.60
Rot. Bonds6

About 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol

2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol (PubChem CID 134204970) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol
PubChem CID134204970
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol
SMILESOc1ccccc1CC1(Cc2ccccc2O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O3/c29-25-17-9-7-11-21(25)19-27(20-22-12-8-10-18-26(22)30)28(31-27,23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-18,29-30H,19-20H2
InChIKeyGMOKBSZDJDZPLY-UHFFFAOYSA-N
XLogP5.60
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.60
H-Bond Donors ≤ 52
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-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol?
The IUPAC name of 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol (CID 134204970) is 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol?
The canonical SMILES for 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol is Oc1ccccc1CC1(Cc2ccccc2O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol?
The InChIKey is GMOKBSZDJDZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c29-25-17-9-7-11-21(25)19-27(20-22-12-8-10-18-26(22)30)28(31-27,23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-18,29-30H,19-20H2.
What are the key properties of 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol?
2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol has a molecular weight of 408.50 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxyphenyl)methyl]-3,3-diphenyloxiran-2-yl]methyl]phenol is sourced from PubChem (CID 134204970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).