3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol

C17H20O4 — CID 10108163

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol
SMILESCOc1cc(O)cc(CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H20O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h6-11,18H,4-5H2,1-3H3
InChIKeyKXKMCMZHJBJGCT-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.20
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol

3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol (PubChem CID 10108163) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol
PubChem CID10108163
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol
SMILESCOc1cc(O)cc(CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H20O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h6-11,18H,4-5H2,1-3H3
InChIKeyKXKMCMZHJBJGCT-UHFFFAOYSA-N
XLogP3.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol (CID 10108163) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol is COc1cc(O)cc(CCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol?
The InChIKey is KXKMCMZHJBJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h6-11,18H,4-5H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol?
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol has a molecular weight of 288.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 10108163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).