2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol

C11H16O3 — CID 89240723

IUPAC2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol
SMILESCc1c(C)c(O)c(CO)c(CO)c1C
InChIInChI=1S/C11H16O3/c1-6-7(2)9(4-12)10(5-13)11(14)8(6)3/h12-14H,4-5H2,1-3H3
InChIKeyOBESCHBJNSPFIJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.30
Rot. Bonds2

About 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol

2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol (PubChem CID 89240723) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol.

Molecular Properties

Compound Name2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol
PubChem CID89240723
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol
SMILESCc1c(C)c(O)c(CO)c(CO)c1C
InChIInChI=1S/C11H16O3/c1-6-7(2)9(4-12)10(5-13)11(14)8(6)3/h12-14H,4-5H2,1-3H3
InChIKeyOBESCHBJNSPFIJ-UHFFFAOYSA-N
XLogP1.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol?
The IUPAC name of 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol (CID 89240723) is 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol.
What is the SMILES notation for 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol?
The canonical SMILES for 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol is Cc1c(C)c(O)c(CO)c(CO)c1C.
What is the InChIKey of 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol?
The InChIKey is OBESCHBJNSPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6-7(2)9(4-12)10(5-13)11(14)8(6)3/h12-14H,4-5H2,1-3H3.
What are the key properties of 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol?
2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hydroxymethyl)-4,5,6-trimethylphenol is sourced from PubChem (CID 89240723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).