4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol

C36H34O4 — CID 159532417

IUPAC4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol
SMILESCC(C)(c1ccc(C(C)(C)c2ccc(O)cc2-c2ccc(O)cc2)cc1)c1ccc(O)cc1-c1ccc(O)cc1
InChIInChI=1S/C36H34O4/c1-35(2,33-19-17-29(39)21-31(33)23-5-13-27(37)14-6-23)25-9-11-26(12-10-25)36(3,4)34-20-18-30(40)22-32(34)24-7-15-28(38)16-8-24/h5-22,37-40H,1-4H3
InChIKeyMDDZIDHWFWMVRW-UHFFFAOYSA-N
MW530.66 g/mol
LogP8.49
Rot. Bonds6

About 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol

4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol (PubChem CID 159532417) has the molecular formula C36H34O4 and a molecular weight of 530.66 g/mol. Its IUPAC name is 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol
PubChem CID159532417
Molecular FormulaC36H34O4
Molecular Weight530.66 g/mol
Exact Mass530.25
IUPAC Name4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol
SMILESCC(C)(c1ccc(C(C)(C)c2ccc(O)cc2-c2ccc(O)cc2)cc1)c1ccc(O)cc1-c1ccc(O)cc1
InChIInChI=1S/C36H34O4/c1-35(2,33-19-17-29(39)21-31(33)23-5-13-27(37)14-6-23)25-9-11-26(12-10-25)36(3,4)34-20-18-30(40)22-32(34)24-7-15-28(38)16-8-24/h5-22,37-40H,1-4H3
InChIKeyMDDZIDHWFWMVRW-UHFFFAOYSA-N
XLogP8.49
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 58.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol?
The IUPAC name of 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol (CID 159532417) is 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol?
The canonical SMILES for 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol is CC(C)(c1ccc(C(C)(C)c2ccc(O)cc2-c2ccc(O)cc2)cc1)c1ccc(O)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol?
The InChIKey is MDDZIDHWFWMVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O4/c1-35(2,33-19-17-29(39)21-31(33)23-5-13-27(37)14-6-23)25-9-11-26(12-10-25)36(3,4)34-20-18-30(40)22-32(34)24-7-15-28(38)16-8-24/h5-22,37-40H,1-4H3.
What are the key properties of 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol?
4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol has a molecular weight of 530.66 g/mol, XLogP of 8.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 159532417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).