2,3-bis(1-hydroxyethyl)-4-methylphenol

C11H16O3 — CID 22486739

IUPAC2,3-bis(1-hydroxyethyl)-4-methylphenol
SMILESCc1ccc(O)c(C(C)O)c1C(C)O
InChIInChI=1S/C11H16O3/c1-6-4-5-9(14)11(8(3)13)10(6)7(2)12/h4-5,7-8,12-14H,1-3H3
InChIKeyDFQNELIYHUFZGD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds2

About 2,3-bis(1-hydroxyethyl)-4-methylphenol

2,3-bis(1-hydroxyethyl)-4-methylphenol (PubChem CID 22486739) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-bis(1-hydroxyethyl)-4-methylphenol.

Molecular Properties

Compound Name2,3-bis(1-hydroxyethyl)-4-methylphenol
PubChem CID22486739
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,3-bis(1-hydroxyethyl)-4-methylphenol
SMILESCc1ccc(O)c(C(C)O)c1C(C)O
InChIInChI=1S/C11H16O3/c1-6-4-5-9(14)11(8(3)13)10(6)7(2)12/h4-5,7-8,12-14H,1-3H3
InChIKeyDFQNELIYHUFZGD-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1-hydroxyethyl)-4-methylphenol?
The IUPAC name of 2,3-bis(1-hydroxyethyl)-4-methylphenol (CID 22486739) is 2,3-bis(1-hydroxyethyl)-4-methylphenol.
What is the SMILES notation for 2,3-bis(1-hydroxyethyl)-4-methylphenol?
The canonical SMILES for 2,3-bis(1-hydroxyethyl)-4-methylphenol is Cc1ccc(O)c(C(C)O)c1C(C)O.
What is the InChIKey of 2,3-bis(1-hydroxyethyl)-4-methylphenol?
The InChIKey is DFQNELIYHUFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6-4-5-9(14)11(8(3)13)10(6)7(2)12/h4-5,7-8,12-14H,1-3H3.
What are the key properties of 2,3-bis(1-hydroxyethyl)-4-methylphenol?
2,3-bis(1-hydroxyethyl)-4-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1-hydroxyethyl)-4-methylphenol is sourced from PubChem (CID 22486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).