4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol

C27H24O4 — CID 22041994

IUPAC4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol
SMILESOc1ccc(CC(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H24O4/c28-22-9-1-18(2-10-22)17-26(19-3-11-23(29)12-4-19)27(20-5-13-24(30)14-6-20)21-7-15-25(31)16-8-21/h1-16,26-31H,17H2
InChIKeyGPNMDKAGAKASTE-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.67
Rot. Bonds6

About 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol

4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol (PubChem CID 22041994) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol
PubChem CID22041994
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol
SMILESOc1ccc(CC(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H24O4/c28-22-9-1-18(2-10-22)17-26(19-3-11-23(29)12-4-19)27(20-5-13-24(30)14-6-20)21-7-15-25(31)16-8-21/h1-16,26-31H,17H2
InChIKeyGPNMDKAGAKASTE-UHFFFAOYSA-N
XLogP5.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-hydroxyphenyl)-2,3-diphenylpropyl]phenol
CID 70441435
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-[2-(4-hydroxyphenyl)but-3-ynyl]phenol
CID 10955612
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
CID 151360371
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[2-(4-hydroxyphenyl)hex-5-enyl]phenol
CID 163921584

Frequently Asked Questions

What is the IUPAC name of 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol (CID 22041994) is 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol is Oc1ccc(CC(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol?
The InChIKey is GPNMDKAGAKASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c28-22-9-1-18(2-10-22)17-26(19-3-11-23(29)12-4-19)27(20-5-13-24(30)14-6-20)21-7-15-25(31)16-8-21/h1-16,26-31H,17H2.
What are the key properties of 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol?
4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol has a molecular weight of 412.49 g/mol, XLogP of 5.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 22041994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).