4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol

C39H32O4 — CID 174977121

IUPAC4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)(c2ccc(O)cc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H32O4/c40-33-19-11-29(12-20-33)38(30-13-21-34(41)22-14-30)39(31-15-23-35(42)24-16-31,32-17-25-36(43)26-18-32)37(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-26,37-38,40-43H
InChIKeyRRPKKUFPAZDZGP-UHFFFAOYSA-N
MW564.68 g/mol
LogP8.46
Rot. Bonds8

About 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol

4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol (PubChem CID 174977121) has the molecular formula C39H32O4 and a molecular weight of 564.68 g/mol. Its IUPAC name is 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol.

Molecular Properties

Compound Name4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol
PubChem CID174977121
Molecular FormulaC39H32O4
Molecular Weight564.68 g/mol
Exact Mass564.23
IUPAC Name4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)(c2ccc(O)cc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H32O4/c40-33-19-11-29(12-20-33)38(30-13-21-34(41)22-14-30)39(31-15-23-35(42)24-16-31,32-17-25-36(43)26-18-32)37(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-26,37-38,40-43H
InChIKeyRRPKKUFPAZDZGP-UHFFFAOYSA-N
XLogP8.46
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 58.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol?
The IUPAC name of 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol (CID 174977121) is 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol.
What is the SMILES notation for 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol?
The canonical SMILES for 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol is Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)(c2ccc(O)cc2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol?
The InChIKey is RRPKKUFPAZDZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O4/c40-33-19-11-29(12-20-33)38(30-13-21-34(41)22-14-30)39(31-15-23-35(42)24-16-31,32-17-25-36(43)26-18-32)37(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-26,37-38,40-43H.
What are the key properties of 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol?
4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol has a molecular weight of 564.68 g/mol, XLogP of 8.46, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol is sourced from PubChem (CID 174977121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).