2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol

C9H12O3 — CID 117276602

IUPAC2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
SMILESOCCc1cccc(CO)c1O
InChIInChI=1S/C9H12O3/c10-5-4-7-2-1-3-8(6-11)9(7)12/h1-3,10-12H,4-6H2
InChIKeyGSRYLADWHPEVQG-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.42
Rot. Bonds3

About 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol

2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol (PubChem CID 117276602) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
PubChem CID117276602
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
SMILESOCCc1cccc(CO)c1O
InChIInChI=1S/C9H12O3/c10-5-4-7-2-1-3-8(6-11)9(7)12/h1-3,10-12H,4-6H2
InChIKeyGSRYLADWHPEVQG-UHFFFAOYSA-N
XLogP0.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol?
The IUPAC name of 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol (CID 117276602) is 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol.
What is the SMILES notation for 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol?
The canonical SMILES for 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol is OCCc1cccc(CO)c1O.
What is the InChIKey of 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol?
The InChIKey is GSRYLADWHPEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-5-4-7-2-1-3-8(6-11)9(7)12/h1-3,10-12H,4-6H2.
What are the key properties of 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol?
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol has a molecular weight of 168.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol is sourced from PubChem (CID 117276602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).