4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol

C28H26O2 — CID 171715473

IUPAC4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
SMILESOc1ccc(CCc2ccc(-c3ccc(CCc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26O2/c29-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(30)20-12-24/h5-20,29-30H,1-4H2
InChIKeyRBKGUANPLPRNTN-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.34
Rot. Bonds7

About 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol

4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol (PubChem CID 171715473) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
PubChem CID171715473
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
SMILESOc1ccc(CCc2ccc(-c3ccc(CCc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26O2/c29-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(30)20-12-24/h5-20,29-30H,1-4H2
InChIKeyRBKGUANPLPRNTN-UHFFFAOYSA-N
XLogP6.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
3-[4-(4-hydroxyphenyl)phenyl]propanoate
CID 6947121
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
2-(4-hydroxyphenyl)ethylazanium
CID 5249538
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-[4-(6-trimethylsilylhexyl)phenyl]phenol
CID 19763846

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
The IUPAC name of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol (CID 171715473) is 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol.
What is the SMILES notation for 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
The canonical SMILES for 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol is Oc1ccc(CCc2ccc(-c3ccc(CCc4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
The InChIKey is RBKGUANPLPRNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c29-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(30)20-12-24/h5-20,29-30H,1-4H2.
What are the key properties of 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol?
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol has a molecular weight of 394.51 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol is sourced from PubChem (CID 171715473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).