3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol

C26H22O4 — CID 57265568

IUPAC3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
SMILESOc1cccc(CC(c2cccc(O)c2)(c2cccc(O)c2)c2cccc(O)c2)c1
InChIInChI=1S/C26H22O4/c27-22-9-1-5-18(13-22)17-26(19-6-2-10-23(28)14-19,20-7-3-11-24(29)15-20)21-8-4-12-25(30)16-21/h1-16,27-30H,17H2
InChIKeyBPZQKWNVCBGOAC-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.09
Rot. Bonds5

About 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol

3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol (PubChem CID 57265568) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
PubChem CID57265568
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
SMILESOc1cccc(CC(c2cccc(O)c2)(c2cccc(O)c2)c2cccc(O)c2)c1
InChIInChI=1S/C26H22O4/c27-22-9-1-5-18(13-22)17-26(19-6-2-10-23(28)14-19,20-7-3-11-24(29)15-20)21-8-4-12-25(30)16-21/h1-16,27-30H,17H2
InChIKeyBPZQKWNVCBGOAC-UHFFFAOYSA-N
XLogP5.09
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
CID 145284163
3-(3-aminopentan-3-yl)phenol
CID 23618552
phenol;3-propylphenol
CID 66960022
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
3-(propylaminomethyl)phenol
CID 10725714

Frequently Asked Questions

What is the IUPAC name of 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol (CID 57265568) is 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol is Oc1cccc(CC(c2cccc(O)c2)(c2cccc(O)c2)c2cccc(O)c2)c1.
What is the InChIKey of 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol?
The InChIKey is BPZQKWNVCBGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c27-22-9-1-5-18(13-22)17-26(19-6-2-10-23(28)14-19,20-7-3-11-24(29)15-20)21-8-4-12-25(30)16-21/h1-16,27-30H,17H2.
What are the key properties of 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol?
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol has a molecular weight of 398.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 57265568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).