3-ethoxy-4-methoxyphenol

C9H12O3 — CID 580771

IUPAC3-ethoxy-4-methoxyphenol
SMILESCCOc1cc(O)ccc1OC
InChIInChI=1S/C9H12O3/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6,10H,3H2,1-2H3
InChIKeyYYXJGWHFSNJMDX-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.80
Rot. Bonds3

About 3-ethoxy-4-methoxyphenol

3-ethoxy-4-methoxyphenol (PubChem CID 580771) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-ethoxy-4-methoxyphenol.

Molecular Properties

Compound Name3-ethoxy-4-methoxyphenol
PubChem CID580771
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3-ethoxy-4-methoxyphenol
SMILESCCOc1cc(O)ccc1OC
InChIInChI=1S/C9H12O3/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6,10H,3H2,1-2H3
InChIKeyYYXJGWHFSNJMDX-UHFFFAOYSA-N
XLogP1.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxyphenol?
The IUPAC name of 3-ethoxy-4-methoxyphenol (CID 580771) is 3-ethoxy-4-methoxyphenol.
What is the SMILES notation for 3-ethoxy-4-methoxyphenol?
The canonical SMILES for 3-ethoxy-4-methoxyphenol is CCOc1cc(O)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxyphenol?
The InChIKey is YYXJGWHFSNJMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6,10H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-methoxyphenol?
3-ethoxy-4-methoxyphenol has a molecular weight of 168.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxyphenol is sourced from PubChem (CID 580771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).