2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C19H24O6 — CID 88738251

IUPAC2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1c(CO)c(CO)c(O)c(CO)c1CO
InChIInChI=1S/C19H24O6/c1-19(2,11-3-5-12(24)6-4-11)17-13(7-20)15(9-22)18(25)16(10-23)14(17)8-21/h3-6,20-25H,7-10H2,1-2H3
InChIKeyPJWRCSVVEVWSIB-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.39
Rot. Bonds6

About 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 88738251) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID88738251
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1c(CO)c(CO)c(O)c(CO)c1CO
InChIInChI=1S/C19H24O6/c1-19(2,11-3-5-12(24)6-4-11)17-13(7-20)15(9-22)18(25)16(10-23)14(17)8-21/h3-6,20-25H,7-10H2,1-2H3
InChIKeyPJWRCSVVEVWSIB-UHFFFAOYSA-N
XLogP1.39
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 51.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 88738251) is 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1c(CO)c(CO)c(O)c(CO)c1CO.
What is the InChIKey of 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is PJWRCSVVEVWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-19(2,11-3-5-12(24)6-4-11)17-13(7-20)15(9-22)18(25)16(10-23)14(17)8-21/h3-6,20-25H,7-10H2,1-2H3.
What are the key properties of 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 348.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(hydroxymethyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 88738251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).