2,3,4-tris(2-phenylphenoxy)phenol

C42H30O4 — CID 67179055

IUPAC2,3,4-tris(2-phenylphenoxy)phenol
SMILESOc1ccc(Oc2ccccc2-c2ccccc2)c(Oc2ccccc2-c2ccccc2)c1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C42H30O4/c43-36-28-29-40(44-37-25-13-10-22-33(37)30-16-4-1-5-17-30)42(46-39-27-15-12-24-35(39)32-20-8-3-9-21-32)41(36)45-38-26-14-11-23-34(38)31-18-6-2-7-19-31/h1-29,43H
InChIKeyUHSHCITURGCAMH-UHFFFAOYSA-N
MW598.70 g/mol
LogP11.77
Rot. Bonds9

About 2,3,4-tris(2-phenylphenoxy)phenol

2,3,4-tris(2-phenylphenoxy)phenol (PubChem CID 67179055) has the molecular formula C42H30O4 and a molecular weight of 598.70 g/mol. Its IUPAC name is 2,3,4-tris(2-phenylphenoxy)phenol.

Molecular Properties

Compound Name2,3,4-tris(2-phenylphenoxy)phenol
PubChem CID67179055
Molecular FormulaC42H30O4
Molecular Weight598.70 g/mol
Exact Mass598.21
IUPAC Name2,3,4-tris(2-phenylphenoxy)phenol
SMILESOc1ccc(Oc2ccccc2-c2ccccc2)c(Oc2ccccc2-c2ccccc2)c1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C42H30O4/c43-36-28-29-40(44-37-25-13-10-22-33(37)30-16-4-1-5-17-30)42(46-39-27-15-12-24-35(39)32-20-8-3-9-21-32)41(36)45-38-26-14-11-23-34(38)31-18-6-2-7-19-31/h1-29,43H
InChIKeyUHSHCITURGCAMH-UHFFFAOYSA-N
XLogP11.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.70
LogP ≤ 511.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(2-phenylphenoxy)phenol?
The IUPAC name of 2,3,4-tris(2-phenylphenoxy)phenol (CID 67179055) is 2,3,4-tris(2-phenylphenoxy)phenol.
What is the SMILES notation for 2,3,4-tris(2-phenylphenoxy)phenol?
The canonical SMILES for 2,3,4-tris(2-phenylphenoxy)phenol is Oc1ccc(Oc2ccccc2-c2ccccc2)c(Oc2ccccc2-c2ccccc2)c1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 2,3,4-tris(2-phenylphenoxy)phenol?
The InChIKey is UHSHCITURGCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O4/c43-36-28-29-40(44-37-25-13-10-22-33(37)30-16-4-1-5-17-30)42(46-39-27-15-12-24-35(39)32-20-8-3-9-21-32)41(36)45-38-26-14-11-23-34(38)31-18-6-2-7-19-31/h1-29,43H.
What are the key properties of 2,3,4-tris(2-phenylphenoxy)phenol?
2,3,4-tris(2-phenylphenoxy)phenol has a molecular weight of 598.70 g/mol, XLogP of 11.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(2-phenylphenoxy)phenol is sourced from PubChem (CID 67179055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).