4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol

C32H34O3 — CID 139838357

IUPAC4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
SMILESCCCC(CC)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H34O3/c1-4-22-32(5-2,27-14-20-30(35)21-15-27)26-8-6-23(7-9-26)31(3,24-10-16-28(33)17-11-24)25-12-18-29(34)19-13-25/h6-21,33-35H,4-5,22H2,1-3H3
InChIKeyFAGJSZXCBKAZOI-UHFFFAOYSA-N
MW466.62 g/mol
LogP7.65
Rot. Bonds8

About 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol

4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol (PubChem CID 139838357) has the molecular formula C32H34O3 and a molecular weight of 466.62 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
PubChem CID139838357
Molecular FormulaC32H34O3
Molecular Weight466.62 g/mol
Exact Mass466.25
IUPAC Name4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
SMILESCCCC(CC)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H34O3/c1-4-22-32(5-2,27-14-20-30(35)21-15-27)26-8-6-23(7-9-26)31(3,24-10-16-28(33)17-11-24)25-12-18-29(34)19-13-25/h6-21,33-35H,4-5,22H2,1-3H3
InChIKeyFAGJSZXCBKAZOI-UHFFFAOYSA-N
XLogP7.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 57.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol with MolForge

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Related Compounds

4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
1-ethynyl-4-[3-(4-ethynylphenyl)hexan-3-yl]benzene
CID 57056733
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol
CID 70233628
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
CID 159320188
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
4-(3-ethyl-3-methylhexan-2-yl)phenol
CID 91753385
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol (CID 139838357) is 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol is CCCC(CC)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol?
The InChIKey is FAGJSZXCBKAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3/c1-4-22-32(5-2,27-14-20-30(35)21-15-27)26-8-6-23(7-9-26)31(3,24-10-16-28(33)17-11-24)25-12-18-29(34)19-13-25/h6-21,33-35H,4-5,22H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol?
4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol has a molecular weight of 466.62 g/mol, XLogP of 7.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol is sourced from PubChem (CID 139838357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).