4-(2-hydroxyethyl)-2-methoxyphenol

C9H12O3 — CID 16928

IUPAC4-(2-hydroxyethyl)-2-methoxyphenol
SMILESCOc1cc(CCO)ccc1O
InChIInChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKeyXHUBSJRBOQIZNI-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.94
Rot. Bonds3

About 4-(2-hydroxyethyl)-2-methoxyphenol

4-(2-hydroxyethyl)-2-methoxyphenol (PubChem CID 16928) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-methoxyphenol
PubChem CID16928
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-(2-hydroxyethyl)-2-methoxyphenol
SMILESCOc1cc(CCO)ccc1O
InChIInChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKeyXHUBSJRBOQIZNI-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-methoxyphenol?
The IUPAC name of 4-(2-hydroxyethyl)-2-methoxyphenol (CID 16928) is 4-(2-hydroxyethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-hydroxyethyl)-2-methoxyphenol is COc1cc(CCO)ccc1O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-methoxyphenol?
The InChIKey is XHUBSJRBOQIZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-2-methoxyphenol?
4-(2-hydroxyethyl)-2-methoxyphenol has a molecular weight of 168.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-methoxyphenol is sourced from PubChem (CID 16928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).