4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol

C16H18O4 — CID 146465876

IUPAC4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
SMILESCOc1ccc(CCc2ccc(O)cc2O)cc1OC
InChIInChI=1S/C16H18O4/c1-19-15-8-4-11(9-16(15)20-2)3-5-12-6-7-13(17)10-14(12)18/h4,6-10,17-18H,3,5H2,1-2H3
InChIKeyHWMWMCQZPBEWOG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.90
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol

4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol (PubChem CID 146465876) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
PubChem CID146465876
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
SMILESCOc1ccc(CCc2ccc(O)cc2O)cc1OC
InChIInChI=1S/C16H18O4/c1-19-15-8-4-11(9-16(15)20-2)3-5-12-6-7-13(17)10-14(12)18/h4,6-10,17-18H,3,5H2,1-2H3
InChIKeyHWMWMCQZPBEWOG-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

4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
CID 172870617
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
CID 172870671
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
CID 1204262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol (CID 146465876) is 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol is COc1ccc(CCc2ccc(O)cc2O)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol?
The InChIKey is HWMWMCQZPBEWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-15-8-4-11(9-16(15)20-2)3-5-12-6-7-13(17)10-14(12)18/h4,6-10,17-18H,3,5H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol?
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol 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 4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 146465876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).