2-ethoxy-4-(hydroxymethyl)phenol

C9H12O3 — CID 597767

IUPAC2-ethoxy-4-(hydroxymethyl)phenol
SMILESCCOc1cc(CO)ccc1O
InChIInChI=1S/C9H12O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-5,10-11H,2,6H2,1H3
InChIKeyULCZGZGLABEWDG-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.28
Rot. Bonds3

About 2-ethoxy-4-(hydroxymethyl)phenol

2-ethoxy-4-(hydroxymethyl)phenol (PubChem CID 597767) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-ethoxy-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(hydroxymethyl)phenol
PubChem CID597767
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-ethoxy-4-(hydroxymethyl)phenol
SMILESCCOc1cc(CO)ccc1O
InChIInChI=1S/C9H12O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-5,10-11H,2,6H2,1H3
InChIKeyULCZGZGLABEWDG-UHFFFAOYSA-N
XLogP1.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(hydroxymethyl)phenol?
The IUPAC name of 2-ethoxy-4-(hydroxymethyl)phenol (CID 597767) is 2-ethoxy-4-(hydroxymethyl)phenol.
What is the SMILES notation for 2-ethoxy-4-(hydroxymethyl)phenol?
The canonical SMILES for 2-ethoxy-4-(hydroxymethyl)phenol is CCOc1cc(CO)ccc1O.
What is the InChIKey of 2-ethoxy-4-(hydroxymethyl)phenol?
The InChIKey is ULCZGZGLABEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-5,10-11H,2,6H2,1H3.
What are the key properties of 2-ethoxy-4-(hydroxymethyl)phenol?
2-ethoxy-4-(hydroxymethyl)phenol has a molecular weight of 168.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(hydroxymethyl)phenol is sourced from PubChem (CID 597767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).