5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol

C16H18O4 — CID 3085362

IUPAC5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
SMILESCOc1cc(O)cc(CCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,17-18H,3-4H2,1-2H3
InChIKeySDXKZPQOVUDXIY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.90
Rot. Bonds5

About 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol

5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol (PubChem CID 3085362) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
PubChem CID3085362
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
SMILESCOc1cc(O)cc(CCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,17-18H,3-4H2,1-2H3
InChIKeySDXKZPQOVUDXIY-UHFFFAOYSA-N
XLogP2.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol (CID 3085362) is 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol is COc1cc(O)cc(CCc2ccc(OC)c(O)c2)c1.
What is the InChIKey of 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol?
The InChIKey is SDXKZPQOVUDXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol?
5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol has a molecular weight of 274.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 3085362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).