4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol

C51H54O6 — CID 160835894

IUPAC4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
SMILESCC(C)(c1ccc(O)cc1)c1cc(C(C)(C)c2ccc(O)cc2)cc(C(C)(C)c2ccc(O)cc2)c1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C33H36O3.3C6H6O/c1-31(2,22-7-13-28(34)14-8-22)25-19-26(32(3,4)23-9-15-29(35)16-10-23)21-27(20-25)33(5,6)24-11-17-30(36)18-12-24;3*7-6-4-2-1-3-5-6/h7-21,34-36H,1-6H3;3*1-5,7H
InChIKeySHKFUTKPWAFMFC-UHFFFAOYSA-N
MW762.99 g/mol
LogP11.96
Rot. Bonds6

About 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol

4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol (PubChem CID 160835894) has the molecular formula C51H54O6 and a molecular weight of 762.99 g/mol. Its IUPAC name is 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol.

Molecular Properties

Compound Name4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
PubChem CID160835894
Molecular FormulaC51H54O6
Molecular Weight762.99 g/mol
Exact Mass762.39
IUPAC Name4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
SMILESCC(C)(c1ccc(O)cc1)c1cc(C(C)(C)c2ccc(O)cc2)cc(C(C)(C)c2ccc(O)cc2)c1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C33H36O3.3C6H6O/c1-31(2,22-7-13-28(34)14-8-22)25-19-26(32(3,4)23-9-15-29(35)16-10-23)21-27(20-25)33(5,6)24-11-17-30(36)18-12-24;3*7-6-4-2-1-3-5-6/h7-21,34-36H,1-6H3;3*1-5,7H
InChIKeySHKFUTKPWAFMFC-UHFFFAOYSA-N
XLogP11.96
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.99
LogP ≤ 511.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol?
The IUPAC name of 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol (CID 160835894) is 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol.
What is the SMILES notation for 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol?
The canonical SMILES for 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol is CC(C)(c1ccc(O)cc1)c1cc(C(C)(C)c2ccc(O)cc2)cc(C(C)(C)c2ccc(O)cc2)c1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol?
The InChIKey is SHKFUTKPWAFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O3.3C6H6O/c1-31(2,22-7-13-28(34)14-8-22)25-19-26(32(3,4)23-9-15-29(35)16-10-23)21-27(20-25)33(5,6)24-11-17-30(36)18-12-24;3*7-6-4-2-1-3-5-6/h7-21,34-36H,1-6H3;3*1-5,7H.
What are the key properties of 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol?
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol has a molecular weight of 762.99 g/mol, XLogP of 11.96, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol is sourced from PubChem (CID 160835894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).