5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol

C16H18O4 — CID 86251456

IUPAC5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
SMILESCOc1cc(CCc2cccc(O)c2)cc(O)c1OC
InChIInChI=1S/C16H18O4/c1-19-15-10-12(9-14(18)16(15)20-2)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3
InChIKeySXTIQENJRJOCLX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.90
Rot. Bonds5

About 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol

5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol (PubChem CID 86251456) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
PubChem CID86251456
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
SMILESCOc1cc(CCc2cccc(O)c2)cc(O)c1OC
InChIInChI=1S/C16H18O4/c1-19-15-10-12(9-14(18)16(15)20-2)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3
InChIKeySXTIQENJRJOCLX-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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Related Compounds

Eugenol
CID 3314
Isoeugenol
CID 853433
Catechin
CID 9064
Epicatechin
CID 72276
Tetrahydrocurcumin
CID 124072
Pterostilbene
CID 5281727
(-)-Secoisolariciresinol
CID 65373
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
Methoxyhydroxyphenylglycol
CID 10805
4-Propylguaiacol
CID 17739
4-Hydroxy-3,5-dimethoxycinnamic acid
CID 637775

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol?
The IUPAC name of 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol (CID 86251456) is 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol?
The canonical SMILES for 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol is COc1cc(CCc2cccc(O)c2)cc(O)c1OC.
What is the InChIKey of 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol?
The InChIKey is SXTIQENJRJOCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-15-10-12(9-14(18)16(15)20-2)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3.
What are the key properties of 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol?
5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol 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-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 86251456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).