2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol

C16H18O5 — CID 88593001

IUPAC2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
SMILESOCc1c(O)c(-c2ccccc2)c(CO)c(CO)c1CO
InChIInChI=1S/C16H18O5/c17-6-11-12(7-18)14(9-20)16(21)15(13(11)8-19)10-4-2-1-3-5-10/h1-5,17-21H,6-9H2
InChIKeyISDBRHCOKQAGKF-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.03
Rot. Bonds5

About 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol

2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol (PubChem CID 88593001) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol.

Molecular Properties

Compound Name2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
PubChem CID88593001
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
SMILESOCc1c(O)c(-c2ccccc2)c(CO)c(CO)c1CO
InChIInChI=1S/C16H18O5/c17-6-11-12(7-18)14(9-20)16(21)15(13(11)8-19)10-4-2-1-3-5-10/h1-5,17-21H,6-9H2
InChIKeyISDBRHCOKQAGKF-UHFFFAOYSA-N
XLogP1.03
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol?
The IUPAC name of 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol (CID 88593001) is 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol.
What is the SMILES notation for 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol?
The canonical SMILES for 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol is OCc1c(O)c(-c2ccccc2)c(CO)c(CO)c1CO.
What is the InChIKey of 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol?
The InChIKey is ISDBRHCOKQAGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c17-6-11-12(7-18)14(9-20)16(21)15(13(11)8-19)10-4-2-1-3-5-10/h1-5,17-21H,6-9H2.
What are the key properties of 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol?
2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol has a molecular weight of 290.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol is sourced from PubChem (CID 88593001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).