4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol

C28H26O2 — CID 168874199

IUPAC4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
SMILESOc1ccc(CC(CC(c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O2/c29-26-15-11-21(12-16-26)19-25(22-7-3-1-4-8-22)20-28(23-9-5-2-6-10-23)24-13-17-27(30)18-14-24/h1-18,25,28-30H,19-20H2
InChIKeyRSPSJEVYAHXKMG-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.65
Rot. Bonds7

About 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol

4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol (PubChem CID 168874199) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
PubChem CID168874199
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
SMILESOc1ccc(CC(CC(c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O2/c29-26-15-11-21(12-16-26)19-25(22-7-3-1-4-8-22)20-28(23-9-5-2-6-10-23)24-13-17-27(30)18-14-24/h1-18,25,28-30H,19-20H2
InChIKeyRSPSJEVYAHXKMG-UHFFFAOYSA-N
XLogP6.65
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 ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
4-(1-phenyl-3-sulfanylpropan-2-yl)phenol;hydrochloride
CID 173351855
4-[3-(4-hydroxyphenyl)-2,3-diphenylpropyl]phenol
CID 70441435
4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
CID 174786387
methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
CID 125467308
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
4-(1-chloro-2-phenylethyl)phenol;sulfane
CID 67803217
4-[2-(4-hydroxyphenyl)hex-5-enyl]phenol
CID 163921584
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol
CID 138710634

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol (CID 168874199) is 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol is Oc1ccc(CC(CC(c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol?
The InChIKey is RSPSJEVYAHXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c29-26-15-11-21(12-16-26)19-25(22-7-3-1-4-8-22)20-28(23-9-5-2-6-10-23)24-13-17-27(30)18-14-24/h1-18,25,28-30H,19-20H2.
What are the key properties of 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol?
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol has a molecular weight of 394.51 g/mol, XLogP of 6.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol is sourced from PubChem (CID 168874199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).