4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol

C28H34O6 — CID 141043253

IUPAC4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
SMILESCC(Cc1ccccc1CC(C)c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C28H34O6/c1-17(21-9-23(13-29)27(33)24(10-21)14-30)7-19-5-3-4-6-20(19)8-18(2)22-11-25(15-31)28(34)26(12-22)16-32/h3-6,9-12,17-18,29-34H,7-8,13-16H2,1-2H3
InChIKeyGTQRJSFIQHJTTF-UHFFFAOYSA-N
MW466.57 g/mol
LogP3.76
Rot. Bonds10

About 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol

4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 141043253) has the molecular formula C28H34O6 and a molecular weight of 466.57 g/mol. Its IUPAC name is 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
PubChem CID141043253
Molecular FormulaC28H34O6
Molecular Weight466.57 g/mol
Exact Mass466.24
IUPAC Name4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
SMILESCC(Cc1ccccc1CC(C)c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C28H34O6/c1-17(21-9-23(13-29)27(33)24(10-21)14-30)7-19-5-3-4-6-20(19)8-18(2)22-11-25(15-31)28(34)26(12-22)16-32/h3-6,9-12,17-18,29-34H,7-8,13-16H2,1-2H3
InChIKeyGTQRJSFIQHJTTF-UHFFFAOYSA-N
XLogP3.76
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 53.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol (CID 141043253) is 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol is CC(Cc1ccccc1CC(C)c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.
What is the InChIKey of 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is GTQRJSFIQHJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O6/c1-17(21-9-23(13-29)27(33)24(10-21)14-30)7-19-5-3-4-6-20(19)8-18(2)22-11-25(15-31)28(34)26(12-22)16-32/h3-6,9-12,17-18,29-34H,7-8,13-16H2,1-2H3.
What are the key properties of 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 466.57 g/mol, XLogP of 3.76, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 141043253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).